Crystallography Open Database

Information card for entry 7124010

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Structure parameters

Formula	C21 H19 N3 O2
Calculated formula	C21 H19 N3 O2
Title of publication	Mn(I)-Catalyzed Nucleophilic Addition/Ring Expansion via C-H Activation and C-C Cleavage
Authors of publication	Liu, Bingxian; Yuan, Yin; Hu, Panjie; zheng, guangfan; Bai, Da-Chang; Chang, Junbiao; Li, Xingwei
Journal of publication	Chemical Communications
Year of publication	2019
a	10.7994 ± 0.0002 Å
b	7.8119 ± 0.0001 Å
c	19.995 ± 0.0003 Å
α	90°
β	95.793 ± 0.001°
γ	90°
Cell volume	1678.24 ± 0.05 Å³
Cell temperature	169.99 ± 0.1 K
Ambient diffraction temperature	169.99 ± 0.1 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1124
Weighted residual factors for all reflections included in the refinement	0.1159
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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