Crystallography Open Database

Information card for entry 1543264

Preview

Coordinates	1543264.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H21 F N2 O4 S
Calculated formula	C28 H21 F N2 O4 S
SMILES	S(=O)(=O)(NC(=O)C(=C\1C(=O)N(c2c1cc(F)cc2)CC=C)\C#Cc1ccccc1)c1ccc(C)cc1
Title of publication	Tuning of Copper-Catalyzed Multicomponent Reactions toward 3-Functionalized Oxindoles.
Authors of publication	Cheng, Dong; Ling, Fei; Zheng, Chenguang; Ma, Cheng
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	10
Pages of publication	2435 - 2438
a	10.3056 ± 0.0005 Å
b	14.0546 ± 0.0006 Å
c	17.9127 ± 0.0009 Å
α	90°
β	106.449 ± 0.005°
γ	90°
Cell volume	2488.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.076
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1193
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184960 (current)	2016-08-05	cif/ Updating files of 1543261, 1543262, 1543263, 1543264 Original log message: Adding full bibliography for 1543261--1543264.cif.	1543264.cif
182675	2016-05-06	cif/ Adding structures of 1543261, 1543262, 1543263, 1543264 via cif-deposit CGI script.	1543264.cif