Crystallography Open Database

Information card for entry 7119218

7119217 << 7119218 >> 7119219

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Structure parameters

Formula	C31 H35 Br2 P
Calculated formula	C31 H35 Br2 P
SMILES	Brc1cc2C(=Pc3c(cc(C(C)(C)C)cc3C(C)(C)C)C(C)(C)C)c3cc(Br)ccc3c2cc1
Title of publication	Functional small-molecules & polymers containing P[double bond, length as m-dash]C and As[double bond, length as m-dash]C bonds as hybrid π-conjugated materials.
Authors of publication	Morales Salazar, Daniel; Mijangos, Edgar; Pullen, Sonja; Gao, Ming; Orthaber, Andreas
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	6
Pages of publication	1120 - 1123
a	10.149 ± 0.0008 Å
b	23.497 ± 0.002 Å
c	11.9741 ± 0.0011 Å
α	90°
β	105.805 ± 0.006°
γ	90°
Cell volume	2747.5 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
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	0.0911
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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