Crystallography Open Database

Information card for entry 7219033

7219032 << 7219033 >> 7219034

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Structure parameters

Formula	C41 H38 N2 O8
Calculated formula	C41 H38 N2 O8
SMILES	c1ccccc1CN1C(=O)[C@@]2(c3ccccc13)[C@H](C(=O)OCC)C([C@H]([C@]12C(=O)N(Cc2ccccc2)c2c1cccc2)C(=O)OCC)C(=O)OC.c1ccccc1CN1C(=O)[C@]2(c3ccccc13)[C@@H](C(=O)OCC)C([C@@H]([C@@]12C(=O)N(Cc2ccccc2)c2c1cccc2)C(=O)OCC)C(=O)OC
Title of publication	Construction of dispirocyclohexyl-3,3’-bisoxindole and dispirocyclopentyl-3,3’-bisoxindole via cycloaddition reactions of N-benzylbenzimidazolium salts with 2-(2-oxoindolin-3-ylidene)acetates†
Authors of publication	Yan, Chao Guo; Sun, Jing; Shen, Guo-Liang
Journal of publication	RSC Adv.
Year of publication	2014
a	10.74 ± 0.003 Å
b	12.889 ± 0.003 Å
c	15.381 ± 0.004 Å
α	68.745 ± 0.003°
β	87.06 ± 0.003°
γ	70.391 ± 0.003°
Cell volume	1863.2 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.2365
Weighted residual factors for all reflections included in the refinement	0.2499
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301864 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure.	7219033.cif
180521	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219033.cif
128492	2014-12-09	cif/ Adding structures of 7219032, 7219033, 7219034, 7219035 via cif-deposit CGI script.	7219033.cif