Crystallography Open Database

Information card for entry 1552472

Preview

Coordinates	1552472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H18 N P3
Calculated formula	C19 H18 N P3
SMILES	P1(P(P(CC1)c1ccccc1)c1ncccc1)c1ccccc1
Title of publication	Controlled scrambling reactions to polyphosphanes via bond metathesis reactions
Authors of publication	Schoemaker, Robin; Schwedtmann, Kai; Franconetti, Antonio; Frontera, Antonio; Hennersdorf, Felix; Weigand, Jan J.
Journal of publication	Chemical Science
Year of publication	2019
a	26.5691 ± 0.0004 Å
b	10.80809 ± 0.00017 Å
c	5.9932 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	1721.01 ± 0.05 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1291
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219502 (current)	2019-10-25	cif/ Adding structures of 1552459, 1552460, 1552461, 1552462, 1552463, 1552464, 1552465, 1552466, 1552467, 1552468, 1552469, 1552470, 1552471, 1552472, 1552473, 1552474, 1552475, 1552476 via cif-deposit CGI script.	1552472.cif