Crystallography Open Database

Information card for entry 1543117

Preview

Coordinates	1543117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 Br2 N O6 S
Calculated formula	C23 H33 Br2 N O6 S
SMILES	Brc1c(OC)cc([C@@H](C=C)[C@@](NS(C(C)(C)C)=O)(C(=O)OCC)CCC(=O)OCC)c(Br)c1
Title of publication	Practical Asymmetric Synthesis of Amathaspiramides B, D, and F.
Authors of publication	Cai, Sen-Lin; Song, Ran; Dong, Han-Qing; Lin, Guo-Qiang; Sun, Xing-Wen
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	9
Pages of publication	1996 - 1999
a	11.7774 ± 0.0006 Å
b	14.2384 ± 0.0007 Å
c	16.4779 ± 0.0008 Å
α	90°
β	93.145 ± 0.002°
γ	90°
Cell volume	2759 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
187985 (current)	2016-11-06	cif/ Updating files of 1543116, 1543117, 1543118 Original log message: Adding full bibliography for 1543116--1543118.cif.	1543117.cif
182126	2016-04-15	cif/ Adding structures of 1543117 via cif-deposit CGI script.	1543117.cif