Crystallography Open Database

Information card for entry 7220781

7220780 << 7220781 >> 7220782

Preview

Coordinates	7220781.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	gliomasolide A
Formula	C18 H32 O4
Calculated formula	C18 H32 O4
SMILES	O1C(=O)/C=C/[C@@H](O)CC[C@H](O)CCCCC[C@H]1CCCCC
Title of publication	Gliomasolides A-E, Unusual Macrolides from a Sponge-Derived Fungus Gliomastix sp. ZSDS1-F7-2
Authors of publication	Zhang, Jun; Lin, Xiuping; Li, Liangchun; Zhong, Baliang; liao, xiaojian; Liu, Yonghong; xu, shihai
Journal of publication	RSC Adv.
Year of publication	2015
a	5.42511 ± 0.00018 Å
b	7.6161 ± 0.0002 Å
c	21.7672 ± 0.0008 Å
α	90°
β	91.546 ± 0.003°
γ	90°
Cell volume	899.05 ± 0.05 Å³
Cell temperature	99.9 ± 0.4 K
Ambient diffraction temperature	99.9 ± 0.4 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	0.0457
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1151
Goodness-of-fit parameter for all reflections included in the refinement	1.001
Diffraction radiation probe	x-ray
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220781.cif
139284	2015-06-17	cif/ Adding structures of 7220780, 7220781, 7220782 via cif-deposit CGI script.	7220781.cif