Information card for entry 4001452

Structure parameters

• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: O=C(Nc1cccc(NC(=O)c2ccncc2)c1)c1ccncc1
• Title of publication: Strongly Fluorescent Hydrogel as a Blue-Emitting Nanomaterial: An Approach toward Understanding Fluorescence−Structure Relationship
• Authors of publication: Kim, Tae Ho; Seo, Joobeom; Lee, Soo Jin; Lee, Shim Sung; Kim, Jineun; Jung, Jong Hwa
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 24
• Pages of publication: 5815
• a: 7.6293 ± 0.0009 Å
• b: 8.9099 ± 0.0011 Å
• c: 12.3769 ± 0.0015 Å
• α: 72.542 ± 0.002°
• β: 72.226 ± 0.002°
• γ: 77.396 ± 0.002°
• Cell volume: 756.81 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1303
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No