Crystallography Open Database

Information card for entry 7104696

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Coordinates	7104696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.5 H45 B4 Cl F8 N4
Calculated formula	C50.5 H44 B4 Cl F8 N4
Title of publication	Spirocyclic boronium ions: precursors to persistent neutral radicals
Authors of publication	Thomas K. Wood; Warren E. Piers; Brian A. Keay; Masood Parvez
Journal of publication	Chem. Commun.
Year of publication	2009
Journal volume	34
Pages of publication	5147 - 5149
a	10.8262 ± 0.0003 Å
b	13.2946 ± 0.0002 Å
c	17.0262 ± 0.0004 Å
α	81.4549 ± 0.0013°
β	83.1495 ± 0.001°
γ	71.8584 ± 0.0011°
Cell volume	2295.95 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0785
Weighted residual factors for significantly intense reflections	0.1754
Weighted residual factors for all reflections included in the refinement	0.1996
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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