Crystallography Open Database

Information card for entry 4113952

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Coordinates	4113952.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H21 Cl O2
Calculated formula	C24 H21 Cl O2
SMILES	Clc1ccc(C(=O)OC2(c3ccccc3)CC(C2)(c2ccccc2)C)cc1
Title of publication	Palladium-Catalyzed Asymmetric Arylation, Vinylation, and Allenylation of tert-Cyclobutanols via Enantioselective C-C Bond Cleavage
Authors of publication	Satoshi Matsumura; Yasunari Maeda; Takahiro Nishimura; Sakae Uemura
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8862 - 8869
a	20.812 ± 0.0006 Å
b	5.8624 ± 0.0002 Å
c	33.049 ± 0.001 Å
α	90°
β	101.782 ± 0.0007°
γ	90°
Cell volume	3947.3 ± 0.2 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.04
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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