Crystallography Open Database

Information card for entry 7219176

7219175 << 7219176 >> 7219177

Preview

Coordinates	7219176.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N O5
Calculated formula	C18 H15 N O5
SMILES	c1(ccc(cc1)OC)N1C(=O)C(=C\c2ccc(cc2)OC)\OC1=O
Title of publication	Chemical fixation of carbon dioxide by copper catalyzed multicomponent reactions for oxazolidinedione syntheses
Authors of publication	Sharma, Siddharth; Singh, Ajay K.; Singh, Devendra; Kim, Dong-Pyo
Journal of publication	Green Chem.
Year of publication	2015
Journal volume	17
Journal issue	3
Pages of publication	1404
a	12.291 ± 0.003 Å
b	7.4147 ± 0.0015 Å
c	34.667 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	3159.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1129
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1125
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
180522 (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 7/21/91.	7219176.cif
135059	2015-04-06	cif/ Updating files of 7219176 Original log message: Adding full bibliography for 7219176.cif.	7219176.cif
129030	2014-12-24	cif/ Adding structures of 7219176 via cif-deposit CGI script.	7219176.cif