Crystallography Open Database

Information card for entry 1557145

Preview

Coordinates	1557145.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 N O4 P
Calculated formula	C28 H26 N O4 P
SMILES	c1ccc2c3c1ccc1c3c(cc2)c(cc1)C(=O)NC(P(=O)(OCC)OCC)c1ccccc1
Title of publication	Mechanofluorochromism of pyrene-derived amidophosphonates.
Authors of publication	Hirai, Yuichi; Wrona-Piotrowicz, Anna; Zakrzewski, Janusz; Brosseau, Arnaud; Guillot, Régis; Métivier, Rémi; Allain, Clémence
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2020
Journal volume	19
Journal issue	2
Pages of publication	229 - 234
a	9.7414 ± 0.0005 Å
b	10.2898 ± 0.0005 Å
c	13.4571 ± 0.0006 Å
α	110.284 ± 0.001°
β	109.513 ± 0.001°
γ	90.732 ± 0.001°
Cell volume	1179.9 ± 0.1 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 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	0.0382
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1017
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
249051 (current)	2020-03-05	cif/ Updating files of 1557143, 1557144, 1557145 Original log message: Adding full bibliography for 1557143--1557145.cif.	1557145.cif
247182	2020-01-24	cif/ Adding structures of 1557143, 1557144, 1557145 via cif-deposit CGI script.	1557145.cif