Crystallography Open Database

Information card for entry 1557144

Preview

Coordinates	1557144.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 N O4 P
Calculated formula	C25 H28 N O4 P
SMILES	c1ccc2ccc3c4c2c1ccc4ccc3C(=O)NC(C(C)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	26.8408 ± 0.0013 Å
b	9.9974 ± 0.0005 Å
c	17.4578 ± 0.0008 Å
α	90°
β	110.506 ± 0.001°
γ	90°
Cell volume	4387.8 ± 0.4 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	1557144.cif
247182	2020-01-24	cif/ Adding structures of 1557143, 1557144, 1557145 via cif-deposit CGI script.	1557144.cif