Crystallography Open Database

Information card for entry 4120233

4120232 << 4120233 >> 4120234

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Structure parameters

Formula	C28 H23 Cl N4 O2
Calculated formula	C28 H23 Cl N4 O2
SMILES	Clc1cccc2[C@](Cc3nnn(Cc4c(O)cccc4)c3)(C(=O)N(c12)Cc1ccccc1)CC#C
Title of publication	Asymmetric Copper(I)-Catalyzed Azide-Alkyne Cycloaddition to Quaternary Oxindoles
Authors of publication	Feng Zhou; Chen Tan; Jing Tang; Yan-Yan Zhang; Wei-Ming Gao; Hai-Hong Wu; Yi-Hua Yu; Jian Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	10994 - 10997
a	24.846 ± 0.012 Å
b	13.173 ± 0.006 Å
c	7.666 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	2509 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1661
Weighted residual factors for all reflections included in the refinement	0.1848
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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