Information card for entry 7247048

Structure parameters

• Formula: C25 H23 N3 O3
• Calculated formula: C25 H23 N3 O3
• SMILES: c1(ccc(cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12)O.CN(C)C=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: 8.5226 ± 0.0003 Å
• b: 10.0347 ± 0.0004 Å
• c: 12.5476 ± 0.0005 Å
• α: 77.009 ± 0.002°
• β: 81.678 ± 0.002°
• γ: 86.51 ± 0.002°
• Cell volume: 1034.17 ± 0.07 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: 0.0709
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No