Crystallography Open Database

Information card for entry 4032141

Preview

Coordinates	4032141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H27.9 Br Cl0.4 N5 O5
Calculated formula	C32.7 H24 Br Cl0.4 N5 O5
Title of publication	Enantioselective Organocatalyzed Vinylogous Michael Reactions of 3-Alkylidene Oxindoles with Enals.
Authors of publication	Feng, Junjun; Li, Xin; Cheng, Jin-Pei
Journal of publication	The Journal of organic chemistry
Year of publication	2017
Journal volume	82
Journal issue	3
Pages of publication	1412 - 1419
a	7.476 ± 0.002 Å
b	11.875 ± 0.003 Å
c	18.314 ± 0.007 Å
α	80.19 ± 0.03°
β	86.76 ± 0.03°
γ	75.499 ± 0.018°
Cell volume	1550.9 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.179
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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