Crystallography Open Database

Information card for entry 1518902

Preview

Coordinates	1518902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 O P
Calculated formula	C23 H25 O P
SMILES	c1(c(c(cc(c1)C)C(C)(C)C)O)P(c1ccccc1)c1ccccc1
Title of publication	P,O-Phosphinophenolate zinc(ii) species: synthesis, structure and use in the ring-opening polymerization (ROP) of lactide, ε-caprolactone and trimethylene carbonate.
Authors of publication	Fliedel, Christophe; Rosa, Vitor; Alves, Filipa M.; Martins, Ana M.; Avilés, Teresa; Dagorne, Samuel
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	27
Pages of publication	12376 - 12387
a	13.3231 ± 0.0008 Å
b	13.0236 ± 0.0008 Å
c	11.3086 ± 0.0007 Å
α	90°
β	95.911 ± 0.002°
γ	90°
Cell volume	1951.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
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.	1518902.cif
143661	2015-07-11	cif/ Updating files of 1518901, 1518902, 1518903, 1518904 Original log message: Adding full bibliography for 1518901--1518904.cif.	1518902.cif
134407	2015-03-26	cif/ Adding structures of 1518901, 1518902, 1518903, 1518904 via cif-deposit CGI script.	1518902.cif