Crystallography Open Database

Information card for entry 1517746

Preview

Coordinates	1517746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 P
Calculated formula	C26 H23 P
SMILES	c1(c(C)cc(C)cc1C)P=C(c1ccccc1)c1cccc2ccccc12
Title of publication	Anionic polymerisation of phosphaalkenes bearing polyaromatic chromophores: phosphine polymers showing “turn-on” emission selectively with peroxide
Authors of publication	Rawe, Benjamin W.; Chun, Cindy P.; Gates, Derek P.
Journal of publication	Chem. Sci.
Year of publication	2014
Journal volume	5
Journal issue	12
Pages of publication	4928
a	12.054 ± 0.005 Å
b	9.298 ± 0.005 Å
c	18.724 ± 0.005 Å
α	90 ± 0.005°
β	99.348 ± 0.005°
γ	90 ± 0.005°
Cell volume	2070.7 ± 1.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0587
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517746.cif
126323	2014-11-06	cif/ Updating files of 1517745, 1517746, 1517747 Original log message: Adding full bibliography for 1517745--1517747.cif.	1517746.cif
123824	2014-09-16	cif/ Adding structures of 1517745, 1517746, 1517747 via cif-deposit CGI script.	1517746.cif