Crystallography Open Database

Information card for entry 4024932

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Coordinates	4024932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H61 Cl2 O6 Si2
Calculated formula	C48 H46 Cl2 O6 Si2
Title of publication	Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework
Authors of publication	Michael D. Weller; Benson M. Kariuki; Liam R. Cox
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	7898 - 7907
a	16.3914 ± 0.0003 Å
b	9.8562 ± 0.0002 Å
c	17.5824 ± 0.0004 Å
α	90°
β	116.384 ± 0.001°
γ	90°
Cell volume	2544.67 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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