Crystallography Open Database

Information card for entry 4026863

Preview

Coordinates	4026863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H51.17 N5 O14.33 P2.5
Calculated formula	C41 H41 N5 O14.3333 P2.5
Title of publication	Fluorescent Acridine-Based Receptors for H2PO4-
Authors of publication	Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar
Journal of publication	Journal of Organic Chemistry
Year of publication	2012
Journal volume	77
Pages of publication	490 - 500
a	30.4865 ± 0.0006 Å
b	30.4865 ± 0.0006 Å
c	12.0383 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	9689.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.1238
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.2318
Weighted residual factors for all reflections included in the refinement	0.2622
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4026863.cif
80917	2013-04-11	cif/ Adding structures of 4026863 via cif-deposit CGI script.	4026863.cif