Crystallography Open Database

Information card for entry 7122009

7122008 << 7122009 >> 7122010

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Structure parameters

Formula	C23 H22 Cl N3
Calculated formula	C23 H22 Cl N3
Title of publication	Transfer hydrogenative para-selective aminoalkylation of aniline derivatives with N-heteroarenes via ruthenium/acid dual catalysis.
Authors of publication	Chen, Xiuwen; Zhao, He; Chen, Chunlian; Jiang, Huanfeng; Zhang, Min
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	65
Pages of publication	9087 - 9090
a	33.35 ± 0.013 Å
b	5.917 ± 0.002 Å
c	21.754 ± 0.01 Å
α	90°
β	119.191 ± 0.009°
γ	90°
Cell volume	3748 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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 all reflections	0.2094
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.2339
Weighted residual factors for all reflections included in the refinement	0.3013
Goodness-of-fit parameter for all reflections included in the refinement	0.997
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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