Crystallography Open Database

Information card for entry 7218782

Preview

Coordinates	7218782.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(R)-1-benzyl-3-hydroxy-3-(2-hydroxy-4,5-dimethoxyphenyl)indolin-2-one
Formula	C23 H21 N O5
Calculated formula	C23 H21 N O5
SMILES	COc1c(cc([C@]2(C(=O)N(Cc3ccccc3)c3c2cccc3)O)c(c1)O)OC
Title of publication	Cinchonidine thiourea catalyzed asymmetric addition of phenols to oxindole derivatives
Authors of publication	Kaur, Jasneet; Kumar, Akshay; Chimni, Swapandeep Singh
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62367
a	8.4183 ± 0.0014 Å
b	12.2957 ± 0.0019 Å
c	9.3671 ± 0.0016 Å
α	90°
β	97.016 ± 0.006°
γ	90°
Cell volume	962.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180518 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/87.	7218782.cif
127511	2014-11-19	cif/ Adding structures of 7218782 via cif-deposit CGI script.	7218782.cif