Crystallography Open Database

Information card for entry 1558007

Preview

Coordinates	1558007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H32 O6
Calculated formula	C22 H32 O6
SMILES	O[C@H]1/C(=C/CC/C(=C\[C@H]2[C@H](C1)C(=C)CCC2=C(C)C)C(=O)OC)C(=O)O.OC
Title of publication	<i>Streptomyces albogriseolus</i> SY67903 Produces Eunicellin Diterpenoids Structurally Similar to Terpenes of the Gorgonian <i>Muricella sibogae</i>, the Bacterial Source.
Authors of publication	Ma, Lie-Feng; Chen, Meng-Jia; Liang, Dong-E; Shi, Lin-Mei; Ying, You-Min; Shan, Wei-Guang; Li, Guo-Qiang; Zhan, Zha-Jun
Journal of publication	Journal of natural products
Year of publication	2020
Journal volume	83
Journal issue	5
Pages of publication	1641 - 1645
a	9.2448 ± 0.0004 Å
b	10.1376 ± 0.0004 Å
c	22.4575 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	2104.72 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0283
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
252621 (current)	2020-06-04	cif/ Updating files of 1558007, 1558008 Original log message: Adding full bibliography for 1558007--1558008.cif.	1558007.cif
251779	2020-05-06	cif/ Adding structures of 1558007 via cif-deposit CGI script.	1558007.cif