Crystallography Open Database

Information card for entry 4132658

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Structure parameters

Formula	C32 H36 N2 O10
Calculated formula	C32 H36 N2 O10
SMILES	O(C(=O)N1C(=O)[C@@]([C@]2(C(=O)N(C(=O)OC(C)(C)C)c3ccccc23)CC(=O)OC)(CC(=O)OC)c2c1cccc2)C(C)(C)C
Title of publication	Organo-Cation Catalyzed Asymmetric Homo/Heterodialkylation of Bisoxindoles: Construction of Vicinal All-Carbon Quaternary Stereocenters and Total Synthesis of (-)-Chimonanthidine.
Authors of publication	Chen, Si-Kai; Ma, Wen-Qiang; Yan, Zhi-Bo; Zhang, Fu-Min; Wang, Shao-Hua; Tu, Yong-Qiang; Zhang, Xiao-Ming; Tian, Jin-Miao
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	32
Pages of publication	10099 - 10103
a	11.494 ± 0.0002 Å
b	11.7725 ± 0.0002 Å
c	12.7954 ± 0.0003 Å
α	78.086 ± 0.001°
β	76.309 ± 0.001°
γ	77.663 ± 0.001°
Cell volume	1621.03 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	4
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1136
Weighted residual factors for all reflections included in the refinement	0.1196
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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