Crystallography Open Database

Information card for entry 7133426

Preview

Coordinates	7133426.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H36 B P
Calculated formula	C19 H36 B P
Title of publication	2-Alkylphosphino-1-boraadamantanes.
Authors of publication	Hoffmann, Kurt F.; Noriega, Rayni P.; Boyle, Paul D.; Drover, Marcus W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	69
Pages of publication	9222 - 9225
a	15.2898 ± 0.0007 Å
b	12.3183 ± 0.0005 Å
c	19.1817 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3612.8 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0485
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
294414 (current)	2024-09-06	cif/ Updating files of 7133423, 7133424, 7133425, 7133426, 7133427, 7133428, 7133429, 7133430 Original log message: Adding full bibliography for 7133423--7133430.cif.	7133426.cif
293595	2024-07-31	cif/ Adding structures of 7133423, 7133424, 7133425, 7133426, 7133427, 7133428, 7133429, 7133430 via cif-deposit CGI script.	7133426.cif