Crystallography Open Database

Information card for entry 7242586

Preview

Coordinates	7242586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 N O3
Calculated formula	C12 H13 N O3
SMILES	O[C@@]1(C(=O)N(c2c1cccc2)CC=C)CO
Title of publication	Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst
Authors of publication	Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan
Journal of publication	RSC Advances
Year of publication	2021
Journal volume	11
Journal issue	21
Pages of publication	12808 - 12814
a	5.8505 ± 0.0012 Å
b	11.594 ± 0.002 Å
c	16.205 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1099.2 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0888
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1348
Weighted residual factors for all reflections included in the refinement	0.1387
Goodness-of-fit parameter for all reflections included in the refinement	1.23
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
263545 (current)	2021-04-02	cif/ Adding structures of 7242586, 7242587, 7242588, 7242589, 7242590 via cif-deposit CGI script.	7242586.cif