Crystallography Open Database

Information card for entry 7224521

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Structure parameters

Formula	C32 H24 F N3 O4
Calculated formula	C32 H24 F N3 O4
SMILES	[C@@]12(C(=O)Nc3ccc(cc13)OC)[C@@H]([C@]1([C@@H](c3ccc(cc3)F)N2)C(=O)Nc2ccccc12)C(=O)c1ccccc1.[C@]12(C(=O)Nc3ccc(cc13)OC)[C@H]([C@@]1([C@H](c3ccc(cc3)F)N2)C(=O)Nc2ccccc12)C(=O)c1ccccc1
Title of publication	Highly efficient regio and diastereoselective synthesis of functionalized bis-spirooxindoles and their antibacterial properties
Authors of publication	Trivedi, Rajiv; Pambala, Ramesh; Kadiyala, Srinivasa Rao; Buddana, Sudheer Kumar; Reddy Shetty, Prakasham; Balasubramanian, Sridhar
Journal of publication	RSC Adv.
Year of publication	2016
a	10.7757 ± 0.0013 Å
b	11.2641 ± 0.0013 Å
c	12.0018 ± 0.0014 Å
α	84.249 ± 0.002°
β	66.118 ± 0.002°
γ	82.085 ± 0.002°
Cell volume	1317.8 ± 0.3 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
301865 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure.	7224521.cif
177651	2016-03-05	cif/ Adding structures of 7224521 via cif-deposit CGI script.	7224521.cif