Crystallography Open Database

Information card for entry 1545296

Preview

Coordinates	1545296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H31 Cl O6
Calculated formula	C25 H31 Cl O6
SMILES	Clc1c(O)c2c(c3c1O[C@]1([C@@H](O)C[C@H]4C(C(=O)CC[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	15.2749 ± 0.0018 Å
b	15.1875 ± 0.0017 Å
c	10.1806 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	2361.8 ± 0.5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.079
Residual factor for significantly intense reflections	0.0649
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
196138 (current)	2017-05-05	cif/ Updating files of 1545294, 1545295, 1545296, 1545297 Original log message: Adding full bibliography for 1545294--1545297.cif.	1545296.cif
192279	2017-02-19	cif/ Adding structures of 1545296 via cif-deposit CGI script.	1545296.cif