Crystallography Open Database

Information card for entry 4002026

4002025 << 4002026 >> 4002027

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Coordinates	4002026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H48
Calculated formula	C66 H48
SMILES	c1ccccc1C(=C(\c1ccccc1)c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)\c1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Graphene-like Molecules Based on Tetraphenylethene Oligomers: Synthesis, Characterization, and Applications
Authors of publication	Ma, Ji; Lin, Tingting; Pan, Xiaoyong; Wang, Weizhi
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	14
Pages of publication	4221
a	42.75 ± 0.02 Å
b	5.584 ± 0.003 Å
c	24.009 ± 0.013 Å
α	90°
β	107.239 ± 0.01°
γ	90°
Cell volume	5474 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1546
Residual factor for significantly intense reflections	0.0578
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1317
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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