Crystallography Open Database

Information card for entry 1545925

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Structure parameters

Formula	C25 H30 Cl2 O6
Calculated formula	C25 H30 Cl2 O6
SMILES	Clc1c(O)c2c(c3c1O[C@]1([C@@H](O)C[C@H]4C(C(=O)[C@@H](Cl)C[C@@]4([C@@H]1C3)C)(C)C)C)C[C@H](OC2=O)C
Title of publication	Chrodrimanins K-N and Related Meroterpenoids from the Fungus Penicillium sp. SCS-KFD09 Isolated from a Marine Worm, Sipunculus nudus.
Authors of publication	Kong, Fan-Dong; Ma, Qing-Yun; Huang, Sheng-Zhuo; Wang, Pei; Wang, Jun-Feng; Zhou, Li-Man; Yuan, Jing-Zhe; Dai, Hao-Fu; Zhao, You-Xing
Journal of publication	Journal of natural products
Year of publication	2017
Journal volume	80
Journal issue	4
Pages of publication	1039 - 1047
a	11.0269 ± 0.0003 Å
b	13.3801 ± 0.0003 Å
c	16.14 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2381.31 ± 0.1 Å³
Cell temperature	273.15 K
Ambient diffraction temperature	273.15 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	0.0786
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.1183
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	1545925.cif
196014	2017-05-04	cif/ Adding structures of 1545925 via cif-deposit CGI script.	1545925.cif