Crystallography Open Database

Information card for entry 7112937

Preview

Coordinates	7112937.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H20 N2 O5
Calculated formula	C19 H20 N2 O5
SMILES	O=C1CCN2C[C@]1(c1[nH]c3c(c1C[C@H]2C(=O)OC)cccc3)C(=O)OC
Title of publication	Total synthesis and absolute configuration determination of (+)-subincanadine F.
Authors of publication	Chen, Pinhong; Cao, Lidong; Tian, Wenhai; Wang, Xinfeng; Li, Chaozhong
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	44
Pages of publication	8436 - 8438
a	7.8077 ± 0.0009 Å
b	10.4954 ± 0.0012 Å
c	21.518 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1763.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0535
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180243 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/29.	7112937.cif
112170	2014-04-30	cif/ Adding structures of 7112935, 7112936, 7112937 via cif-deposit CGI script.	7112937.cif