Crystallography Open Database

Information card for entry 1508842

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Structure parameters

Formula	C17 H14 Br N O
Calculated formula	C17 H14 Br N O
SMILES	Brc1ccc([C@@H]2[C@]3(c4ccccc4N(C3=O)C)C2)cc1
Title of publication	A Highly Diastereo- and Enantioselective Hg(II)-Catalyzed Cyclopropanation of Diazooxindoles and Alkenes.
Authors of publication	Cao, Zhong-Yan; Zhou, Feng; Yu, Yi-Hua; Zhou, Jian
Journal of publication	Organic letters
Year of publication	2013
Journal volume	15
Journal issue	1
Pages of publication	42 - 45
a	6.1191 ± 0.0016 Å
b	12.656 ± 0.003 Å
c	18.088 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1400.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0384
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0574
Weighted residual factors for all reflections included in the refinement	0.0609
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
201954 (current)	2017-10-13	cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	1508842.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508842.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508842.cif
73995	2013-02-21	cif/ Adding structures of 1508842 via cif-deposit CGI script.	1508842.cif