Crystallography Open Database

Information card for entry 4028027

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Structure parameters

Formula	C50 H74 O4 Si4
Calculated formula	C50 H74 O4 Si4
SMILES	c1(c2c(c(c3ccccc13)c1c(cccc1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC)cccc2)c1c(cccc1O[Si](CC)(CC)CC)O[Si](CC)(CC)CC
Title of publication	Double Alkylene-Strapped Diphenylanthracene as a Photostable and Intense Solid-State Blue-Emitting Material
Authors of publication	Yutaka Fujiwara; Ryota Ozawa; Daiki Onuma; Kengo Suzuki; Kenji Yoza; Kenji Kobayashi
Journal of publication	Journal of Organic Chemistry
Year of publication	2013
Journal volume	78
Pages of publication	2206 - 2212
a	13.017 ± 0.005 Å
b	13.523 ± 0.005 Å
c	16.174 ± 0.006 Å
α	78.252 ± 0.005°
β	69.584 ± 0.005°
γ	68.704 ± 0.004°
Cell volume	2476.4 ± 1.6 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1449
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1195
Weighted residual factors for all reflections included in the refinement	0.1468
Goodness-of-fit parameter for all reflections included in the refinement	0.84
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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