Crystallography Open Database

Information card for entry 4516867

Preview

Coordinates	4516867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H60 Al N P Si
Calculated formula	C48 H60 Al N P Si
Title of publication	N-Geminal P/Al Lewis Pair-Alkyne Dipolar Cycloaddition to the Zwitterionic C<sub>2</sub>PNAl-Heterocyclopentene.
Authors of publication	Ding, Shuang; Li, Jiancheng; Liu, Rui; Fu, Gang; Zhu, Hongping; Liu, Weiping; Ye, Qingsong
Journal of publication	ACS omega
Year of publication	2017
Journal volume	2
Journal issue	6
Pages of publication	2405 - 2414
a	22.224 ± 0.001 Å
b	10.3811 ± 0.0003 Å
c	19.8887 ± 0.0008 Å
α	90°
β	106.535 ± 0.004°
γ	90°
Cell volume	4398.8 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1236
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
239603 (current)	2019-11-24	cif/ Adding structures of 4516864, 4516865, 4516866, 4516867, 4516868, 4516869, 4516870, 4516871 via cif-deposit CGI script.	4516867.cif