Crystallography Open Database

Information card for entry 7153876

Preview

Coordinates	7153876.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 O2
Calculated formula	C22 H22 O2
SMILES	C1Oc2ccc(cc2O1)/C=C/1[C@H]2CC[C@H](C2)[C@@H]1c1ccc(cc1)C.C1Oc2ccc(cc2O1)/C=C/1[C@@H]2CC[C@@H](C2)[C@H]1c1ccc(cc1)C
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	6.2213 ± 0.0004 Å
b	19.9582 ± 0.0012 Å
c	13.3944 ± 0.0009 Å
α	90°
β	93.326 ± 0.007°
γ	90°
Cell volume	1660.33 ± 0.18 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1081
Weighted residual factors for all reflections included in the refinement	0.1161
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7153876.cif
116102	2014-06-07	cif/ Adding structures of 7153876, 7153877, 7153878 via cif-deposit CGI script.	7153876.cif