Crystallography Open Database

Information card for entry 7153878

Preview

Coordinates	7153878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 O2
Calculated formula	C22 H22 O2
SMILES	[C@H]12CC[C@H]([C@H](C\1=C\c1ccccc1)c1ccc(cc1)C(=O)OC)C2.[C@@H]12CC[C@@H]([C@@H](C\1=C\c1ccccc1)c1ccc(cc1)C(=O)OC)C2
Title of publication	Palladium-catalyzed three-component reaction of N-tosylhydrazone, norbornene and aryl halide.
Authors of publication	Hu, Fangdong; Xia, Ying; Liu, Zhenxing; Ma, Chen; Zhang, Yan; Wang, Jianbo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2014
Journal volume	12
Journal issue	22
Pages of publication	3590 - 3593
a	19.1645 ± 0.0014 Å
b	5.9934 ± 0.0005 Å
c	29.725 ± 0.003 Å
α	90°
β	98.23 ± 0.008°
γ	90°
Cell volume	3379.1 ± 0.5 Å³
Cell temperature	100.01 ± 0.13 K
Ambient diffraction temperature	100.01 ± 0.13 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1203
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180324 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/38.	7153878.cif
116102	2014-06-07	cif/ Adding structures of 7153876, 7153877, 7153878 via cif-deposit CGI script.	7153878.cif