Crystallography Open Database

Information card for entry 7048184

Preview

Coordinates	7048184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H33.5 B F12 N O
Calculated formula	C38.5 H33.5 B F12 N O
Title of publication	Design considerations for chiral frustrated Lewis pairs: B/N FLPs derived from 3,5-bicyclic aryl piperidines.
Authors of publication	Lam, Jolie; Sampaolesi, Susanna; LaFortune, James H. W.; Coe, Jotham W.; Stephan, Douglas W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	133 - 141
a	31.615 ± 0.003 Å
b	11.1961 ± 0.0009 Å
c	22.1924 ± 0.0018 Å
α	90°
β	118.058 ± 0.004°
γ	90°
Cell volume	6932.1 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1228
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
223951 (current)	2019-11-07	cif/ Updating files of 7048182, 7048183, 7048184 Original log message: Adding full bibliography for 7048182--7048184.cif.	7048184.cif
212094	2018-11-22	cif/ Adding structures of 7048182, 7048183, 7048184 via cif-deposit CGI script.	7048184.cif