Crystallography Open Database

Information card for entry 4105831

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Structure parameters

Formula	C37 H31 B2 N2
Calculated formula	C37 H31 B2 N2
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	21.5133 ± 0.0018 Å
b	14.074 ± 0.0013 Å
c	19.1807 ± 0.0015 Å
α	90°
β	93.461 ± 0.007°
γ	90°
Cell volume	5796.9 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.1304
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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