Crystallography Open Database

Information card for entry 7110266

Preview

Coordinates	7110266.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H25 N O3
Calculated formula	C25 H25 N O3
SMILES	O[C@@]1(c2ccccc2N([C@]1(c1ccc(cc1)C)C(=O)OC)Cc1ccccc1)C.O[C@]1(c2ccccc2N([C@@]1(c1ccc(cc1)C)C(=O)OC)Cc1ccccc1)C
Title of publication	Highly diastereoselective synthesis of 3-hydroxy-2,2,3-trisubstituted indolines via intramolecular trapping of ammonium ylides with ketones
Authors of publication	Changcheng Jing; Dong Xing; Wenhao Hu
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	951
a	10.0938 ± 0.0005 Å
b	19.9876 ± 0.001 Å
c	11.2239 ± 0.0006 Å
α	90°
β	115.15 ± 0.002°
γ	90°
Cell volume	2049.76 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1741
Weighted residual factors for all reflections included in the refinement	0.2001
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
180216 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/02.	7110266.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110266.cif
93868	2014-01-20	cif/ Adding structures of 7110266, 7110267 via cif-deposit CGI script.	7110266.cif