Crystallography Open Database

Information card for entry 7214116

Preview

Coordinates	7214116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H19 N O5
Calculated formula	C25 H19 N O5
SMILES	c1cccc2C(=O)[C@@]3(C(=CN([C@@]3(c12)O)c1ccc(cc1)OC)C(=O)c1ccccc1)O.c1cccc2C(=O)[C@]3(C(=CN([C@]3(c12)O)c1ccc(cc1)OC)C(=O)c1ccccc1)O
Title of publication	An eco-friendly three-component regio- and stereoselective synthesis of highly functionalized dihydroindeno[1,2-b]pyrroles under grinding
Authors of publication	Muthusaravanan, Sivasubramanian; Sasikumar, Chinnathambi; Devi Bala, Balasubramanian; Perumal, Subbu
Journal of publication	Green Chemistry
Year of publication	2014
Journal volume	16
Journal issue	3
Pages of publication	1297
a	20.6371 ± 0.0005 Å
b	11.0516 ± 0.0004 Å
c	20.5751 ± 0.0006 Å
α	90°
β	119.356 ± 0.001°
γ	90°
Cell volume	4090 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0723
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1399
Weighted residual factors for all reflections included in the refinement	0.1589
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7214116.cif
105575	2014-03-12	cif/ Adding structures of 7214116 via cif-deposit CGI script.	7214116.cif