Crystallography Open Database

Information card for entry 7050030

Preview

Coordinates	7050030.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H30 N3 O2.5
Calculated formula	C28 H30 N3 O2.5
SMILES	OC1(c2ccccc2C(=O)c2ccc3[nH]c(nc3c12)c1ccc(N(CC)CC)cc1)C.O(CC)CC
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	16.57 ± 0.01 Å
b	12.047 ± 0.008 Å
c	24.125 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	4816 ± 5 Å³
Cell temperature	296.2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1085
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0571
Weighted residual factors for all reflections included in the refinement	0.0699
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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