Crystallography Open Database

Information card for entry 7201009

7201008 << 7201009 >> 7201010

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Coordinates	7201009.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 O2
Calculated formula	C34 H38 O2
SMILES	O(c1c(C#Cc2ccccc2)cc(c(C#Cc2ccccc2)c1)OCCCCCC)CCCCCC
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	6.297 ± 0.0002 Å
b	22.7824 ± 0.0008 Å
c	10.6411 ± 0.0002 Å
α	90°
β	105.493 ± 0.001°
γ	90°
Cell volume	1471.11 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1237
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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