Crystallography Open Database

Information card for entry 1512196

Preview

Coordinates	1512196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 N3 O9
Calculated formula	C23 H30 N3 O9
Title of publication	Overcoming Synthetic Challenges of Oridonin A-Ring Structural Diversification: Regio- and Stereoselective Installation of Azides and 1,2,3-Triazoles at the C-1, C-2, or C-3 Position
Authors of publication	Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Wild, Christopher; Wang, Tianzhi; White, Mark A.; Shen, Qiang; Zhou, Jia
Journal of publication	Organic Letters
Year of publication	2013
Journal volume	15
Journal issue	14
Pages of publication	3718
a	15.3838 ± 0.0003 Å
b	14.0397 ± 0.0004 Å
c	10.9931 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2374.33 ± 0.1 Å³
Cell temperature	263 K
Ambient diffraction temperature	263 K
Number of distinct elements	4
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	0.0609
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for all reflections	0.1559
Weighted residual factors for significantly intense reflections	0.1539
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.1331
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	1512196.cif
87911	2013-08-27	cif/ Adding structures of 1512196 via cif-deposit CGI script.	1512196.cif