Information card for entry 7247050

Structure parameters

• Formula: C22 H16 N2 O2
• Calculated formula: C22 H16 N2 O2
• SMILES: c1(ccc(cc1)C(=O)N/N=C\c1c2ccccc2cc2ccccc12)O
• Title of publication: Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore
• Authors of publication: Gogoi, Gayatri; Sarma, Rupam J.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 32
• Pages of publication: 4582 - 4591
• a: 11.3394 ± 0.0008 Å
• b: 11.345 ± 0.0008 Å
• c: 14.9825 ± 0.001 Å
• α: 77.424 ± 0.005°
• β: 86.116 ± 0.004°
• γ: 67.045 ± 0.004°
• Cell volume: 1731.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1413
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No