Crystallography Open Database

Information card for entry 1545294

Preview

Coordinates	1545294.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H34 O7.833333
Calculated formula	C25 H34 O7.83333
SMILES	O[C@@H]1[C@]2([C@H](C([C@@H](O)C1)(C)C)C[C@H](O)[C@@]1(Oc3c(c4c(C(=O)O[C@@H](C4)C)c(O)c3)C[C@@H]21)C)C.O
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	19.6602 ± 0.0015 Å
b	14.7796 ± 0.0012 Å
c	26.125 ± 0.0019 Å
α	90°
β	91.529 ± 0.004°
γ	90°
Cell volume	7588.4 ± 1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1573
Residual factor for significantly intense reflections	0.0988
Weighted residual factors for significantly intense reflections	0.2565
Weighted residual factors for all reflections included in the refinement	0.3084
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
214153 (current)	2019-03-18	cif/1 Fixing Z values and formulae	1545294.cif
196138	2017-05-05	cif/ Updating files of 1545294, 1545295, 1545296, 1545297 Original log message: Adding full bibliography for 1545294--1545297.cif.	1545294.cif
192277	2017-02-19	cif/ Adding structures of 1545294 via cif-deposit CGI script.	1545294.cif