Crystallography Open Database

Information card for entry 7156230

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Structure parameters

Formula	C15 H12 Cl N
Calculated formula	C15 H12 Cl N
Title of publication	Electronic effect of substituents on anilines favors 1,4-addition to trans-β-nitrostyrenes: access to N-substituted 3-arylindoles and 3-arylindoles.
Authors of publication	Gattu, Radhakrishna; Bhattacharjee, Suchandra; Mahato, Karuna; Khan, Abu T.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	20
Pages of publication	3760 - 3770
a	9.463 ± 0.0012 Å
b	9.9221 ± 0.0011 Å
c	13.5665 ± 0.0016 Å
α	102.387 ± 0.01°
β	94.259 ± 0.01°
γ	98.976 ± 0.01°
Cell volume	1221.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.132
Residual factor for significantly intense reflections	0.0616
Weighted residual factors for significantly intense reflections	0.1418
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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