Crystallography Open Database

Information card for entry 4315562

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Structure parameters

Formula	C36 H24 B2
Calculated formula	C36 H24 B2
SMILES	c1(c(cccc1)B1c2c(cccc2)c2ccccc12)c1c(cccc1)B1c2c(cccc2)c2ccccc12
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	17.6344 ± 0.0017 Å
b	10.2537 ± 0.0009 Å
c	14.1172 ± 0.0013 Å
α	90°
β	103.205 ± 0.009°
γ	90°
Cell volume	2485.1 ± 0.4 Å³
Cell temperature	108 ± 2 K
Ambient diffraction temperature	108 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1014
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.1749
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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