Crystallography Open Database

Information card for entry 1545147

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Structure parameters

Formula	C27 H37 N3 O6
Calculated formula	C27 H37 N3 O6
SMILES	O=C1N2C(CC(=O)c3c(OC)ccc([C@@]41C([C@H]1C[C@H]5N(CCC5)C[C@@]1(N(=O)=O)C4)(C)C)c23)(C)C.OC
Title of publication	Griseofulvin Derivative and Indole Alkaloids from Penicillium griseofulvum CPCC 400528.
Authors of publication	Zhang, Dewu; Zhao, Lili; Wang, Lining; Fang, Xiaomei; Zhao, Jianyuan; Wang, Xinwei; Li, Li; Liu, Hongyu; Wei, Yuzhen; You, Xuefu; Cen, Shan; Yu, Liyan
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	2
Pages of publication	371 - 376
a	10.831 ± 0.002 Å
b	14.3307 ± 0.0019 Å
c	16.615 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2578.9 ± 0.7 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 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	0.0435
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1079
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545147.cif
193528	2017-03-04	cif/ Updating files of 1545147 Original log message: Adding full bibliography for 1545147.cif.	1545147.cif
190889	2017-01-25	cif/ Adding structures of 1545147 via cif-deposit CGI script.	1545147.cif