Crystallography Open Database

Information card for entry 7201004

7201003 << 7201004 >> 7201005

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Coordinates	7201004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 O2
Calculated formula	C24 H18 O2
SMILES	O(c1cc(C#Cc2ccccc2)c(OC)cc1C#Cc1ccccc1)C
Title of publication	The influence of crystal packing on the solid state fluorescence behavior of alkyloxy substituted phenyleneethynylenes
Authors of publication	Thomas, Reji; Varghese, Shinto; Kulkarni, G. U.
Journal of publication	Journal of Materials Chemistry
Year of publication	2009
Journal volume	19
Journal issue	25
Pages of publication	4401
a	15.495 ± 0.0005 Å
b	11.0758 ± 0.0004 Å
c	10.6108 ± 0.0003 Å
α	90°
β	102.392 ± 0.001°
γ	90°
Cell volume	1778.59 ± 0.1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	571 ± 2 K
Number of distinct elements	3
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	0.0395
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0914
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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