Information card for entry 4516133

Structure parameters

• Chemical name: 4-(9H-pyreno[4,5-d]imidazol-10-yl)benzaldehyde
• Formula: C24 H14 N2 O
• Calculated formula: C24 H14 N2 O
• SMILES: O=Cc1ccc(c2nc3c4cccc5ccc6cccc(c3[nH]2)c6c45)cc1
• Title of publication: Pyrenoimidazolyl-Benzaldehyde Fluorophores: Synthesis, Properties, and Sensing Function for Fluoride Anions.
• Authors of publication: Tabasi, Zahra A.; Younes, Eyad A.; Walsh, Joshua C.; Thompson, David W.; Bodwell, Graham J.; Zhao, Yuming
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 16387 - 16397
• a: 15.833 ± 0.0005 Å
• b: 6.44809 ± 0.00019 Å
• c: 15.5345 ± 0.0005 Å
• α: 90°
• β: 90.5223 ± 0.0015°
• γ: 90°
• Cell volume: 1585.89 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No