Crystal and molecular structure of aflatrem

Lenta BN, Ngatchou J, Kenfack PT, Neumann B, Stammler H-G, Sewald N (2015)
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 71(Pt 11): O867-0868.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
The crystal structure of the title compound, C32H39NO4, confirms the absolute configuration of the seven chiral centres in the molecule. The molecule has a 1,1-dimethylprop-2-enyl substituent on the indole nucleus and this nucleus shares one edge with the five-membered ring which is, in turn, connected to a sequence of three edge-shared fused rings. The skeleton is completed by the 7,7-trimethyl-6,8-dioxabicyclo[3.2.1]oct-3-en-2-one group connected to the terminal cyclohexene ring. The two cyclohexane rings adopt chair and half-chair conformations, while in the dioxabicyclo[3.2.1] oct-3-en-2-one unit, the six-membered ring has a half-chair conformation. The indole system of the molecule exhibits a tilt of 2.02 (1)degrees between its two rings. In the crystal, O-H center dot center dot center dot O hydrogen bonds connect molecules into chains along [010]. Weak N-H center dot center dot center dot pi interactions connect these chains, forming sheets parallel to (10 (1) over bar).
Stichworte
crystal structure; aflatrem; indole-diterpenoid; fungal endophytes; Aspergillus species; N-H center dot center dot center dot Cg (indole); hydrogen bonding
Erscheinungsjahr
2015
Zeitschriftentitel
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
Band
71
Ausgabe
Pt 11
Seite(n)
O867-0868
ISSN
2056-9890
Page URI
https://pub.uni-bielefeld.de/record/2902134

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Lenta BN, Ngatchou J, Kenfack PT, Neumann B, Stammler H-G, Sewald N. Crystal and molecular structure of aflatrem. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS. 2015;71(Pt 11):O867-0868.
Lenta, B. N., Ngatchou, J., Kenfack, P. T., Neumann, B., Stammler, H. - G., & Sewald, N. (2015). Crystal and molecular structure of aflatrem. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 71(Pt 11), O867-0868. doi:10.1107/S2056989015019040
Lenta, B. N., Ngatchou, J., Kenfack, P. T., Neumann, B., Stammler, H. - G., and Sewald, N. (2015). Crystal and molecular structure of aflatrem. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 71, O867-0868.
Lenta, B.N., et al., 2015. Crystal and molecular structure of aflatrem. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 71(Pt 11), p O867-0868.
B.N. Lenta, et al., “Crystal and molecular structure of aflatrem”, ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol. 71, 2015, pp. O867-0868.
Lenta, B.N., Ngatchou, J., Kenfack, P.T., Neumann, B., Stammler, H.-G., Sewald, N.: Crystal and molecular structure of aflatrem. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS. 71, O867-0868 (2015).
Lenta, Bruno N., Ngatchou, Jules, Kenfack, Patrice T., Neumann, Beate, Stammler, Hans-Georg, and Sewald, Norbert. “Crystal and molecular structure of aflatrem”. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS 71.Pt 11 (2015): O867-0868.

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