Crystallography Open Database

Information card for entry 4105829

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Coordinates	4105829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H28 B2
Calculated formula	C30 H28 B2
Title of publication	Main-Chain Boron-Containing Oligophenylenes via Ring-Opening Polymerization of 9-H-9-Borafluorene
Authors of publication	Alexander Hübner; Zheng-Wang Qu; Ulli Englert; Michael Bolte; Hans-Wolfram Lerner; Max C. Holthausen; Matthias Wagner
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	4596 - 4609
a	9.0283 ± 0.0009 Å
b	11.5995 ± 0.0011 Å
c	12.015 ± 0.0012 Å
α	77.043 ± 0.008°
β	68.701 ± 0.008°
γ	85.064 ± 0.008°
Cell volume	1142.5 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0702
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1236
Goodness-of-fit parameter for all reflections included in the refinement	0.946
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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