Crystallography Open Database

Information card for entry 1549225

Preview

Coordinates	1549225.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H31 N4 P
Calculated formula	C26 H31 N4 P
SMILES	c1(c(cccc1C(C)C)C(C)C)N=P12N(c3c(cccc3)N1C)c1ccccc1N2C
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	12.8565 ± 0.0018 Å
b	9.4531 ± 0.0013 Å
c	19.152 ± 0.003 Å
α	90°
β	96.382 ± 0.004°
γ	90°
Cell volume	2313.2 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
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	0.0489
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1188
Weighted residual factors for all reflections included in the refinement	0.1248
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1549225.html