Crystallography Open Database

Information card for entry 4515765

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Structure parameters

Formula	C30 H31 N5 O7
Calculated formula	C30 H31 N5 O7
SMILES	N1(N=C([C@]2(N([C@@]3(OC(=O)N[C@]4(C3)C(=O)N(c3c4cccc3)CC=C)CO2)C(=O)OC(C)(C)C)C1=O)C)c1ccccc1
Title of publication	Synthesis of Chiral Trispirocyclic Oxindoles via Organic-Base/Au(I)-Catalyzed Sequential Reactions
Authors of publication	Guo, Wengang; Li, Lu; Ding, Qian; Lin, Xiangfeng; Liu, Xianghui; Wang, Kai; Liu, Yan; Fan, Hongjun; Li, Can
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	11
Pages of publication	10180
a	10.4443 ± 0.0003 Å
b	14.5326 ± 0.0004 Å
c	38.8497 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	5896.7 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	20
Hermann-Mauguin space group symbol	C 2 2 21
Hall space group symbol	C 2c 2
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1047
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301843 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure.	4515765.cif
225890	2019-11-10	cif/ Adding structures of 4515765 via cif-deposit CGI script.	4515765.cif