Crystallography Open Database

Information card for entry 7030927

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Coordinates	7030927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H34 B4 F24 N8
Calculated formula	C47 H34 B4 F24 N8
Title of publication	Synthesis and characterisation of the complete series of B-N analogues of triptycene.
Authors of publication	Seven, Omer; Popp, Sebastian; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	22
Pages of publication	8241 - 8253
a	8.8267 ± 0.0008 Å
b	11.3525 ± 0.0011 Å
c	14.2556 ± 0.0014 Å
α	99.583 ± 0.008°
β	106.299 ± 0.007°
γ	106.005 ± 0.007°
Cell volume	1271.1 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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