Crystallography Open Database

Information card for entry 4510230

Preview

Coordinates	4510230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 F N3 O2
Calculated formula	C30 H42 F N2.98 O2
Title of publication	1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications
Authors of publication	Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	5
Pages of publication	2118
a	8.143 ± 0.0004 Å
b	9.6781 ± 0.0003 Å
c	18.2591 ± 0.0007 Å
α	92.727 ± 0.003°
β	98.895 ± 0.003°
γ	92.061 ± 0.003°
Cell volume	1418.69 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1872
Residual factor for significantly intense reflections	0.1033
Weighted residual factors for significantly intense reflections	0.2371
Weighted residual factors for all reflections included in the refinement	0.2997
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179649 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/02.	4510230.cif
115631	2014-06-05	cif/ Updating files of 4510228, 4510229, 4510230 Original log message: Adding full bibliography for 4510228--4510230.cif.	4510230.cif
108428	2014-04-02	cif/ Adding structures of 4510230 via cif-deposit CGI script.	4510230.cif