Crystallography Open Database

Information card for entry 7204277

7204276 << 7204277 >> 7204278

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Structure parameters

Formula	C17 H14 Br2
Calculated formula	C17 H14 Br2
SMILES	Brc1ccc2c3ccc(Br)cc3C3(c2c1)CCCC3
Title of publication	Synthesis and crystal structure and optical properties of fluorenic-core oligomers
Authors of publication	Destri, Silvia; Pasini, Mariacecilia; Botta, Chiara; Porzio, William; Bertini, Fabio; Marchiò, Luciano
Journal of publication	Journal of Materials Chemistry
Year of publication	2002
Journal volume	12
Journal issue	4
Pages of publication	924
a	11.746 ± 0.004 Å
b	11.892 ± 0.003 Å
c	20.568 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	2873 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0651
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	0.837
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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