Information card for entry 1573860

Structure parameters

• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: O=C1N(C(=O)c2c3c1cccc3ccc2)CCC
• Title of publication: Non-conjugated alkyl chain engineering to tune condensed state photophysical and supramolecular assembly properties.
• Authors of publication: Meher, Niranjan; Khatun, Mst Nasima; Parui, Retwik; Iyer, Parameswar Krishnan
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 6685 - 6694
• a: 9.3455 ± 0.0009 Å
• b: 6.8284 ± 0.0006 Å
• c: 19.0394 ± 0.0017 Å
• α: 90°
• β: 97.03 ± 0.003°
• γ: 90°
• Cell volume: 1205.86 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0879
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No