Crystallography Open Database

Information card for entry 1549224

Preview

Coordinates	1549224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H33 N2 O2 P
Calculated formula	C26 H33 N2 O2 P
SMILES	c1(c(cccc1C(C)C)C(C)C)N=P(N(C)C)(Oc1ccccc1)Oc1ccccc1
Title of publication	Nontrigonal constraint enhances 1,2-addition reactivity of phosphazenes.
Authors of publication	Lin, Yi-Chun; Gilhula, James C.; Radosevich, Alexander T.
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	18
Pages of publication	4338 - 4347
a	8.587 ± 0.002 Å
b	17.687 ± 0.005 Å
c	16.43 ± 0.005 Å
α	90°
β	99.539 ± 0.006°
γ	90°
Cell volume	2460.9 ± 1.2 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
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	0.0576
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1325
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	0.997
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
228819 (current)	2019-11-17	cif/ Updating files of 1549222, 1549223, 1549224, 1549225, 1549226, 1549227, 1549228 Original log message: Adding full bibliography for 1549222--1549228.cif.	1549224.cif
207252	2018-04-07	cif/ Adding structures of 1549222, 1549223, 1549224, 1549225, 1549226, 1549227, 1549228 via cif-deposit CGI script.	1549224.cif