Crystallography Open Database: Information card for 1501974

Structure parameters

Formula	C21 H20 Br N O3
Calculated formula	C21 H20 Br N O3
Title of publication	Redox isomerization via azomethine ylide intermediates: N-alkyl indoles from indolines and aldehydes.
Authors of publication	Deb, Indubhusan; Das, Deepankar; Seidel, Daniel
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	4
Pages of publication	812 - 815
a	20.2038 ± 0.0013 Å
b	5.1569 ± 0.0003 Å
c	18.62 ± 0.0012 Å
α	90°
β	114.023 ± 0.001°
γ	90°
Cell volume	1771.96 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Hermann-Mauguin symmetry space group	C 1 c 1
Hall symmetry space group	C -2yc
Residual factor for all reflections	0.0238
Residual factor for observed reflections	0.0231
Weighted residual factors for the observed reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0614
Goodness-of-fit parameter for observed reflections	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Crystallography Open Database