Crystallography Open Database

Information card for entry 7247441

Preview

Coordinates	7247441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H22 N2 O3
Calculated formula	C20 H22 N2 O3
SMILES	N1(C(=O)C(c2c1cccc2)(CN1CCOCC1)O)Cc1ccccc1
Title of publication	Stereo/regio-selective access to substituted 3-hydroxy-oxindoles with anti-proliferative assessment and in silico validation
Authors of publication	Preeti,; Raza, Asif; Anand, Amit; Henry, Natacha; Sharma, Arun K.; Roussel, Pascal; Kumar, Vipan
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	41
Pages of publication	28434 - 28443
a	11.5519 ± 0.0005 Å
b	21.2965 ± 0.0011 Å
c	9.1698 ± 0.0005 Å
α	90°
β	128.825 ± 0.0015°
γ	90°
Cell volume	1757.5 ± 0.16 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
286571 (current)	2023-09-28	cif/ Adding structures of 7247441 via cif-deposit CGI script.	7247441.cif