Crystallography Open Database

Information card for entry 7240675

Preview

Coordinates	7240675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N3 O4
Calculated formula	C28 H24 N3 O4
SMILES	O=C1N(c2ccccc2)C(=O)[C@@]2(C1)[C@H](c1ccccc1)CN([C@@]12C(=O)Nc2c1cc(OC)cc2)C.O=C1N(c2ccccc2)C(=O)[C@]2(C1)[C@@H](c1ccccc1)CN([C@]12C(=O)Nc2c1cc(OC)cc2)C
Title of publication	Synthesis and molecular modeling studies of cholinesterase inhibitor dispiro[indoline-3,2′-pyrrolidine-3′,3′′-pyrrolidines]
Authors of publication	Youssef, M. Adel; Panda, Siva S.; El-Shiekh, Riham A.; Shalaby, ElSayed M.; Aboshouk, Dalia R.; Fayad, Walid; Fawzy, Nehmedo G.; Girgis, Adel S.
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	37
Pages of publication	21830 - 21838
a	6.291 ± 0.0005 Å
b	16.2664 ± 0.0011 Å
c	23.223 ± 0.002 Å
α	90°
β	100 ± 0.18°
γ	90°
Cell volume	2340.4 ± 1.3 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.4147
Residual factor for significantly intense reflections	0.1146
Weighted residual factors for all reflections	0.071
Weighted residual factors for significantly intense reflections	0.0416
Weighted residual factors for all reflections included in the refinement	0.0416
Goodness-of-fit parameter for all reflections included in the refinement	1.0575
Diffraction radiation probe	x-ray
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
257981 (current)	2020-10-06	cif/ Updating files of 7240675 Original log message: Adding full bibliography for 7240675.cif.	7240675.cif
253034	2020-06-09	cif/ Adding structures of 7240675 via cif-deposit CGI script.	7240675.cif