Crystallography Open Database

Information card for entry 7240402

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Structure parameters

Formula	C24 H28 Cl N3 O3 S
Calculated formula	C24 H28 Cl N3 O3 S
SMILES	[C@@H]12[C@@](c3c(cccc3)N1C)([C@]1(CN2S(=O)(=O)C(C)(C)C)c2cc(ccc2N(C1=O)C)Cl)C
Title of publication	Ring-opening cyclization of activated spiro-aziridine oxindoles with heteroarenes: a facile synthetic approach to spiro-oxindole-fused pyrroloindolines
Authors of publication	Bhandari, Sonal; Sana, Sravani; Lahoti, Vandana; Tokala, Ramya; Shankaraiah, Nagula
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	27
Pages of publication	16101 - 16109
a	7.53409 ± 0.00009 Å
b	7.53409 ± 0.00009 Å
c	42.4001 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2406.74 ± 0.05 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	6
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.113
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1363
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
301870 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure.	7240402.cif
257989	2020-10-06	cif/ Updating files of 7240402 Original log message: Adding full bibliography for 7240402.cif.	7240402.cif
251174	2020-04-25	cif/ Adding structures of 7240402 via cif-deposit CGI script.	7240402.cif