Crystallography Open Database

Information card for entry 1519659

1519658 << 1519659 >> 1519660

Preview

Coordinates	1519659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 O5
Calculated formula	C20 H22 O5
SMILES	O=C1C2=C([C@@H](O)C[C@]3([C@H]2CCC3=O)C)[C@@]2(c3c1occ3[C@@H](O)CC2)C
Title of publication	Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp.
Authors of publication	Zhao, Qin; Chen, Guo-Dong; Feng, Xiao-Lin; Yu, Yang; He, Rong-Rong; Li, Xiao-Xia; Huang, Yan; Zhou, Wen-Xia; Guo, Liang-Dong; Zheng, Yi-Zhi; Yao, Xin-Sheng; Gao, Hao
Journal of publication	Journal of natural products
Year of publication	2015
Journal volume	78
Journal issue	6
Pages of publication	1221 - 1230
a	8.4907 ± 0.0003 Å
b	8.5157 ± 0.0002 Å
c	12.152 ± 0.0004 Å
α	90°
β	109.005 ± 0.004°
γ	90°
Cell volume	830.75 ± 0.05 Å³
Cell temperature	173.01 ± 0.11 K
Ambient diffraction temperature	173.01 ± 0.11 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	0.0367
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
141363 (current)	2015-07-09	cif/ Updating files of 1519659, 1519660 Original log message: Adding full bibliography for 1519659--1519660.cif.	1519659.cif
136621	2015-05-16	cif/ Adding structures of 1519659 via cif-deposit CGI script.	1519659.cif