Crystallography Open Database

Information card for entry 7218685

Preview

Coordinates	7218685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 O7.5
Calculated formula	C23 H38 O7.5
Title of publication	Streptospirodienoic Acids A and B, 6,6-Spiroketal Polyketides from Streptomyces sp.
Authors of publication	Chen, Yanping; Liu, Qian; Gao, Hao; Lin, Haipeng; Tian, Hai-Yan; Hong, Kui; Li, J.; Jiang, Renwang; Yao, Xin-Sheng; Tang, Jinshan
Journal of publication	RSC Adv.
Year of publication	2014
a	8.6777 ± 0.0002 Å
b	15.1269 ± 0.0003 Å
c	9.5353 ± 0.0002 Å
α	90°
β	96.722 ± 0.002°
γ	90°
Cell volume	1243.06 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0341
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7218685.cif
126309	2014-11-06	cif/ Adding structures of 7218685 via cif-deposit CGI script.	7218685.cif