Crystallography Open Database

Information card for entry 1529446

Preview

Structure parameters

Formula	C24 H32 O4
Calculated formula	C24 H32 O4
SMILES	O[C@@]1(C[C@H](O)C(=C[C@@H]1O)/C=C/[C@]1(O[C@@](/C=C/c2ccc(cc2)C)(C)CC1)C)C
Title of publication	Bisacremines A-D, Dimeric Acremines Produced by a Soil-Derived Acremonium persicinum Strain.
Authors of publication	Wu, Ping; Yao, Lei; Xu, Liangxiong; Xue, Jinghua; Wei, Xiaoyi
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	9
Pages of publication	2161 - 2166
a	7.04536 ± 0.00005 Å
b	13.74167 ± 0.00011 Å
c	11.14078 ± 0.0001 Å
α	90°
β	93.7268 ± 0.0007°
γ	90°
Cell volume	1076.31 ± 0.015 Å³
Cell temperature	160 ± 4 K
Ambient diffraction temperature	160 ± 4 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	0.0418
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301777 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/52 Each referenced PubChem compound corresponds to the full crystal structure.	1529446.cif
160544	2015-10-06	cif/ Updating files of 1529446 Original log message: Adding full bibliography for 1529446.cif.	1529446.cif
153630	2015-08-25	cif/ Adding structures of 1529446 via cif-deposit CGI script.	1529446.cif