Crystallography Open Database

Information card for entry 1546222

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Coordinates	1546222.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 Br O
Calculated formula	C20 H17 Br O
Title of publication	Enantioselective Michael Addition of Photogenerated o-Quinodimethanes to Enones Catalyzed by Chiral Amino Acid Esters.
Authors of publication	Yuan, Xiaoqian; Dong, Shupeng; Liu, Zhen; Wu, Guibing; Zou, Chuncheng; Ye, Jinxing
Journal of publication	Organic letters
Year of publication	2017
Journal volume	19
Journal issue	9
Pages of publication	2322 - 2325
a	9.4386 ± 0.0011 Å
b	11.6291 ± 0.0013 Å
c	14.6798 ± 0.0017 Å
α	90°
β	93.296 ± 0.003°
γ	90°
Cell volume	1608.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	0.964
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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