Crystallography Open Database

Information card for entry 4315565

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Structure parameters

Formula	C36 H27 B3 O3
Calculated formula	C36 H27 B3 O3
SMILES	O1B(OB(OB1c1c(cccc1)c1ccccc1)c1c(cccc1)c1ccccc1)c1c(cccc1)c1ccccc1
Title of publication	Synthesis and Structural Characterization of 9-Azido-9-Borafluorene: Monomer and Cyclotrimer of a Borole Azide
Authors of publication	Sunanda Biswas; Iris M. Oppel; Holger F. Bettinger
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	4499 - 4506
a	13.0852 ± 0.0005 Å
b	13.3035 ± 0.0006 Å
c	19.6082 ± 0.0007 Å
α	70.466 ± 0.004°
β	74.187 ± 0.003°
γ	61.449 ± 0.004°
Cell volume	2799.4 ± 0.2 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0821
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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