Information card for entry 1573858

Structure parameters

• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: O=C1N(C(=O)c2c3c1cccc3ccc2)CC
• 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: 7.0702 ± 0.0013 Å
• b: 18.754 ± 0.004 Å
• c: 16.522 ± 0.003 Å
• α: 90°
• β: 96.935 ± 0.005°
• γ: 90°
• Cell volume: 2174.7 ± 0.7 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.339
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No