Crystallography Open Database

Information card for entry 1557143

Preview

Coordinates	1557143.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H24 N O4 P
Calculated formula	C23 H24 N O4 P
SMILES	c1ccc2ccc3c4c2c1ccc4ccc3C(=O)NC(C)P(=O)(OCC)OCC
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	14.1914 ± 0.0005 Å
b	9.0659 ± 0.0003 Å
c	16.0033 ± 0.0005 Å
α	90°
β	101.488 ± 0.002°
γ	90°
Cell volume	2017.7 ± 0.12 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
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	0.0658
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
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.	1557143.cif
247182	2020-01-24	cif/ Adding structures of 1557143, 1557144, 1557145 via cif-deposit CGI script.	1557143.cif