Crystallography Open Database

Information card for entry 7245675

Preview

Coordinates	7245675.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 O P
Calculated formula	C34 H27 O P
SMILES	P1(=O)([C@H](C(=C([C@@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.P1(=O)([C@@H](C(=C([C@H]1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Yellow to blue switching of fluorescence by the tuning of the pentaphenylphosphole structure: phosphorus electronic state vs. ring conjugation
Authors of publication	Shaydullin, Ruslan R.; Galushko, Alexey S.; Pentsak, Evgeniy O.; Korshunov, Vladislav M.; Taydakov, Ilya V.; Gordeev, Evgeniy G.; Minyaev, Mikhail E.; Nasyrova, Darina I.; Ananikov, Valentine P.
Journal of publication	Physical Chemistry Chemical Physics
Year of publication	2022
a	11.6191 ± 0.0006 Å
b	5.9902 ± 0.0004 Å
c	35.856 ± 0.002 Å
α	90°
β	90.762 ± 0.004°
γ	90°
Cell volume	2495.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.1758
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.1826
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
278577 (current)	2022-10-14	cif/ Adding structures of 7245674, 7245675 via cif-deposit CGI script.	7245675.cif