Crystallography Open Database

Information card for entry 4035542

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Structure parameters

Formula	C26 H31 N3 O3
Calculated formula	C26 H31 N3 O3
SMILES	O1c2cc3[nH]c(c(c3cc2C=CC1(C)C)C[C@@H]1NC(=O)[C@H]2N(C1=O)CCC2)C(C=C)(C)C
Title of publication	Asperversiamides, Linearly Fused Prenylated Indole Alkaloids from the Marine-Derived Fungus Aspergillus versicolor.
Authors of publication	Li, Huaqiang; Sun, Weiguang; Deng, Mengyi; Zhou, Qun; Wang, Jianping; Liu, Junjun; Chen, Chunmei; Qi, Changxing; Luo, Zengwei; Xue, Yongbo; Zhu, Hucheng; Zhang, Yonghui
Journal of publication	The Journal of organic chemistry
Year of publication	2018
Journal volume	83
Journal issue	15
Pages of publication	8483 - 8492
a	21.9246 ± 0.0007 Å
b	15.7608 ± 0.0005 Å
c	6.6049 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2282.32 ± 0.12 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1646
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301828 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure.	4035542.cif
226990	2019-11-11	cif/ Adding structures of 4035542 via cif-deposit CGI script.	4035542.cif