Crystallography Open Database

Information card for entry 7211920

7211919 << 7211920 >> 7211921

Preview

Coordinates	7211920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H48 N10 O13
Calculated formula	C45 H48 N10 O13
Title of publication	Recognition study of substituted benzoic acids by 7-substituted pterin receptors in solution and solid phases
Authors of publication	Goswami, Shyamaprosad; Hazra, Anita; Jana, Subrata; Fun, Hoong-Kun
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	5
Pages of publication	1501
a	16.0828 ± 0.0009 Å
b	6.8716 ± 0.0003 Å
c	24.8286 ± 0.0014 Å
α	90°
β	121.643 ± 0.004°
γ	90°
Cell volume	2336 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.1181
Residual factor for significantly intense reflections	0.0875
Weighted residual factors for significantly intense reflections	0.2372
Weighted residual factors for all reflections included in the refinement	0.2599
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
180450 (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 7/21/19.	7211920.cif
92494	2014-01-12	cif/ Adding structures of 7211920, 7211921, 7211922 via cif-deposit CGI script.	7211920.cif