Crystallography Open Database

Information card for entry 7050029

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Coordinates	7050029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H31 N3 O3
Calculated formula	C28 H31 N3 O3
Title of publication	Heterocyclic quinol-type fluorophores. Dramatic solid-state fluorescence enhancement behaviour of imidazoanthraquinol-type clathrate hosts upon inclusion of various kinds of organic solvent molecules
Authors of publication	Ooyama, Yousuke; Yoshida, Katsuhira
Journal of publication	New Journal of Chemistry
Year of publication	2005
Journal volume	29
Journal issue	9
Pages of publication	1204
a	7.957 ± 0.003 Å
b	20.75 ± 0.002 Å
c	14.977 ± 0.002 Å
α	90°
β	96.81 ± 0.02°
γ	90°
Cell volume	2455.4 ± 1 Å³
Cell temperature	296.2 K
Number of distinct elements	4
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	0.0635
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1153
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.439
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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