Crystallography Open Database

Information card for entry 7248419

Preview

Coordinates	7248419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 N2 O4
Calculated formula	C33 H28 N2 O4
SMILES	O=C1Nc2c([C@@]31N[C@H]([C@@H]([C@]13C(=O)c3c(OC1)cccc3)c1ccc(OC)cc1)Cc1ccccc1)cccc2.O=C1Nc2c([C@]31N[C@@H]([C@H]([C@@]13C(=O)c3c(OC1)cccc3)c1ccc(OC)cc1)Cc1ccccc1)cccc2
Title of publication	Activity against <i>Mycobacterium tuberculosis</i> of a new class of spirooxindolopyrrolidine embedded chromanone hybrid heterocycles.
Authors of publication	Alkaltham, Manal Fahad; Almansour, Abdulrahman I.; Arumugam, Natarajan; Vagolu, Siva Krishna; Tønjum, Tone; Alaqeel, Shatha Ibrahim; Rajaratnam, Saiswaroop; Sivaramakrishnan, Venketesh
Journal of publication	RSC advances
Year of publication	2024
Journal volume	14
Journal issue	17
Pages of publication	11604 - 11613
a	10.392 ± 0.002 Å
b	11.038 ± 0.002 Å
c	13.93 ± 0.003 Å
α	66.842 ± 0.006°
β	83.821 ± 0.008°
γ	68.789 ± 0.006°
Cell volume	1368.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0744
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
291221 (current)	2024-04-16	cif/ Adding structures of 7248418, 7248419 via cif-deposit CGI script.	7248419.cif