Crystallography Open Database

Information card for entry 7109919

Preview

Coordinates	7109919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O5
Calculated formula	C21 H20 O5
SMILES	O=C(OC)C1(C(=O)OC)c2c(C=CC1c1ccc(OC)cc1)cccc2
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	30.6554 ± 0.0013 Å
b	15.1602 ± 0.0009 Å
c	8.7821 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4081.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	41
Hermann-Mauguin space group symbol	A b a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1786
Weighted residual factors for all reflections included in the refinement	0.1883
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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