Crystallography Open Database

Information card for entry 7219535

7219534 << 7219535 >> 7219536

Preview

Coordinates	7219535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 N3 O2 S
Calculated formula	C29 H27 N3 O2 S
SMILES	S(=O)(=O)(/N=C(N(/N=C/c1ccc(cc1)C)c1ccccc1)\Cc1ccccc1)c1ccc(cc1)C
Title of publication	One-Pot Synthesis of Hydrazono-Sulfonamide Adducts using Cu(BTC) MOF Catalyst and Their Remarkable AIEE Properties: Unprecedented Copper(II)-Catalyzed Generation of Ketenimine
Authors of publication	Mahendran, Vaithiyanathan; SHANMUGAM, SIVAKUMAR
Journal of publication	RSC Adv.
Year of publication	2015
a	13.051 ± 0.001 Å
b	12.003 ± 0.001 Å
c	17.439 ± 0.002 Å
α	90°
β	111.47 ± 0.02°
γ	90°
Cell volume	2542.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0756
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1181
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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
180526 (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 7/21/95.	7219535.cif
131631	2015-02-10	cif/ Adding structures of 7219535 via cif-deposit CGI script.	7219535.cif