Crystallography Open Database

Information card for entry 7113562

Preview

Coordinates	7113562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 N O2 P
Calculated formula	C20 H24 N O2 P
SMILES	P12(OC(C1(C)C)C(C)C)(NC(=O)c1c2cccc1)c1ccccc1
Title of publication	Dilithiated phosphazenes: scaffolds for the synthesis of olefins through a new class of bicyclic 1,2-oxaphosphetanes
Authors of publication	García-López, Jesús; Peralta-Pérez, Emma; Forcén-Acebal, Angela; García-Granda, Santiago; López-Ortiz, Fernando
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	7
Pages of publication	856 - 857
a	13.6367 ± 0.0003 Å
b	15.409 ± 0.0003 Å
c	18.5552 ± 0.0003 Å
α	90°
β	108.422 ± 0.0012°
γ	90°
Cell volume	3699.17 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.0705
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Duplicate of	7104044
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210626 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7104044, 7113562. Marking entry 7113562 as a duplicate of entry 7104044.	7113562.cif
180249	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35.	7113562.cif
115131	2014-06-02	cif/ Adding structures of 7113562 via cif-deposit CGI script.	7113562.cif