Crystallography Open Database

Information card for entry 1545295

Preview

Coordinates	1545295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H36 O7
Calculated formula	C25 H36 O7
SMILES	O.O[C@@H]1CC[C@@]2([C@@H](C1(C)C)C[C@@H](O)[C@]1(Oc3c(c4c(c(O)c3)C(=O)O[C@H](C4)C)C[C@H]21)C)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	11.144 ± 0.008 Å
b	16.201 ± 0.012 Å
c	12.443 ± 0.01 Å
α	90°
β	90°
γ	90°
Cell volume	2247 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
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	0.2116
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1545295.cif
192278	2017-02-19	cif/ Adding structures of 1545295 via cif-deposit CGI script.	1545295.cif