Information card for entry 7247049

Structure parameters

• Formula: C22 H18 N2 O3
• Calculated formula: C22 H18 N2 O3
• SMILES: c1(ccc(cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)O.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: 12.5066 ± 0.0004 Å
• b: 14.8096 ± 0.0005 Å
• c: 18.3306 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3395.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No