Crystallography Open Database

Information card for entry 7202944

7202943 << 7202944 >> 7202945

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Coordinates	7202944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H52
Calculated formula	C62 H52
SMILES	c1cccc2c(c3ccccc3cc12)c1ccc(cc1)C(=C(\c1ccc(c2c3ccccc3cc3c2cccc3)cc1)c1ccc(cc1)C(C)(C)C)\c1ccc(cc1)C(C)(C)C
Title of publication	New deep-blue emitting materials based on fully substituted ethylene derivatives
Authors of publication	Kim, Soo-Kang; Park, Young-Il; Kang, In-Nam; Park, Jong-Wook
Journal of publication	Journal of Materials Chemistry
Year of publication	2007
Journal volume	17
Journal issue	44
Pages of publication	4670
a	20.268 ± 0.003 Å
b	10.0519 ± 0.0013 Å
c	22.389 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4561.4 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
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	0.3411
Residual factor for significantly intense reflections	0.1204
Weighted residual factors for significantly intense reflections	0.2709
Weighted residual factors for all reflections included in the refinement	0.4222
Goodness-of-fit parameter for all reflections included in the refinement	0.972
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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