Crystallography Open Database

Information card for entry 7242590

Preview

Coordinates	7242590.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ORGANIC
Formula	C16 H15 N O3
Calculated formula	C16 H15 N O3
SMILES	O=C1N(Cc2ccccc2)c2ccccc2[C@]1(O)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	5.1638 ± 0.0003 Å
b	19.306 ± 0.0012 Å
c	27.209 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2712.5 ± 0.3 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 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	0.2041
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1019
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	0.994
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7242590.cif
263545	2021-04-02	cif/ Adding structures of 7242586, 7242587, 7242588, 7242589, 7242590 via cif-deposit CGI script.	7242590.cif