Crystallography Open Database

Information card for entry 1542989

Preview

Coordinates	1542989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 O8
Calculated formula	C28 H34 O8
SMILES	O1[C@]2([C@H]3[C@]4([C@]1(O)[C@]1(O[C@]2(O)[C@]([C@H]1C1=C4O[C@H](CC1=O)/C=C/C)(C(=O)/C3=C(\O)CC/C=C/C)C)C)C)C
Title of publication	Isolation of Secondary Metabolites from the Soil-Derived Fungus Clonostachys rosea YRS-06, a Biological Control Agent, and Evaluation of Antibacterial Activity.
Authors of publication	Zhai, Ming-Ming; Qi, Feng-Ming; Li, Jie; Jiang, Chun-Xiao; Hou, Yue; Shi, Yan-Ping; Di, Duo-Long; Zhang, Ji-Wen; Wu, Quan-Xiang
Journal of publication	Journal of agricultural and food chemistry
Year of publication	2016
Journal volume	64
Journal issue	11
Pages of publication	2298 - 2306
a	23.0058 ± 0.001 Å
b	15.2127 ± 0.0005 Å
c	7.8037 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2731.14 ± 0.18 Å³
Cell temperature	293.89 ± 0.1 K
Ambient diffraction temperature	154.89 ± 0.1 K
Number of distinct elements	3
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
181336 (current)	2016-04-04	cif/ Adding structures of 1542989 via cif-deposit CGI script.	1542989.cif