Crystallography Open Database

Information card for entry 7125321

Preview

Coordinates	7125321.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-azoniaspiro[4.4]nonane 10-phenyl-9-phosphatriptycene-10-borate
Formula	C36 H41 B N O P
Calculated formula	C36 H41 B N O P
Title of publication	Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.
Authors of publication	Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	57
Pages of publication	7916 - 7919
a	10.0854 ± 0.001 Å
b	17.8383 ± 0.0016 Å
c	16.192 ± 0.0016 Å
α	90°
β	96.009 ± 0.004°
γ	90°
Cell volume	2897 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.053
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1214
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
236762 (current)	2019-11-24	cif/ Adding structures of 7125321, 7125322, 7125323, 7125324, 7125325, 7125326, 7125327, 7125328 via cif-deposit CGI script.	7125321.cif