Crystallography Open Database

Information card for entry 1501636

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Structure parameters

Formula	C29 H16 Br16
Calculated formula	C29 H16 Br16
SMILES	c1ccc2c(c1)C1(c3c2cccc3)c2ccccc2c2c1cccc2.BrC(Br)(Br)Br.BrC(Br)(Br)Br.BrC(Br)(Br)Br.BrC(Br)(Br)Br
Title of publication	Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.
Authors of publication	Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest
Journal of publication	CheM
Year of publication	2011
Journal volume	1
Pages of publication	52 - 12369
a	13.5519 ± 0.0002 Å
b	13.5519 ± 0.0002 Å
c	10.7761 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1979.07 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.0262
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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