Information card for entry 7050019

Structure parameters

• Formula: C30 H33 N3 O2
• Calculated formula: C30 H33 N3 O2
• Title of publication: Heterocyclic quinol-type fluorophores. Synthesis of novel imidazoanthraquinol derivatives and their photophysical properties in benzene and in the crystalline state
• Authors of publication: Ooyama, Yousuke; Nakamura, Takato; Yoshida, Katsuhira
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 447
• a: 16.13 ± 0.003 Å
• b: 8.793 ± 0.003 Å
• c: 18.26 ± 0.003 Å
• α: 90°
• β: 96.12 ± 0.01°
• γ: 90°
• Cell volume: 2575.1 ± 1.1 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1093
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.312
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No