Crystallography Open Database

Information card for entry 7109920

Preview

Coordinates	7109920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cl O4
Calculated formula	C21 H19 Cl O4
SMILES	Clc1ccc(/C=C/C2C(Cc3ccccc23)(C(=O)OC)C(=O)OC)cc1
Title of publication	Palladium-catalyzed insertion of alpha,beta-unsaturated N-tosylhydrazones and trapping with carbon nucleophiles
Authors of publication	Yu-Ying Ye; Ping-Xin Zhou; Jian-Yi Luo; Mei-Jin Zhong; Yong-Min Liang
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	10190
a	7.9515 ± 0.0005 Å
b	21.4155 ± 0.0017 Å
c	22.7131 ± 0.0018 Å
α	90°
β	98.226 ± 0.007°
γ	90°
Cell volume	3827.9 ± 0.5 Å³
Cell temperature	296.01 ± 0.12 K
Ambient diffraction temperature	296.01 ± 0.12 K
Number of distinct elements	4
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	0.1858
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1911
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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