Crystallography Open Database

Information card for entry 1553445

Preview

Coordinates	1553445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 Br2 N2 O2
Calculated formula	C23 H20 Br2 N2 O2
SMILES	Brc1cccc2n(cc(c12)[C@@H]1C(=C\N2CCOC2=O)/C[C@H]1c1ccc(Br)cc1)C.Brc1cccc2n(cc(c12)[C@H]1C(=C\N2CCOC2=O)/C[C@@H]1c1ccc(Br)cc1)C
Title of publication	Enantioselective gold-catalyzed intermolecular [2 + 2]-cycloadditions of 3-styrylindoles with N-allenyl oxazolidinone
Authors of publication	Hu, Haoxiang; Wang, Yidong; Qian, Deyun; Zhang, Zhan-Ming; Liu, Lu; Zhang, Junliang
Journal of publication	Organic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	6
Pages of publication	759
a	13.4028 ± 0.0008 Å
b	11.2931 ± 0.0006 Å
c	14.0439 ± 0.0008 Å
α	90°
β	91.99 ± 0.002°
γ	90°
Cell volume	2124.4 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0723
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.116
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
235003 (current)	2019-11-23	cif/ Adding structures of 1553445, 1553446 via cif-deposit CGI script.	1553445.cif