Information card for entry 1573859

Structure parameters

• Formula: C12 H7 N O2
• Calculated formula: C12 H7 N O2
• SMILES: O=C1NC(=O)c2c3c(cccc13)ccc2
• 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: 11.0018 ± 0.0007 Å
• b: 5.4073 ± 0.0003 Å
• c: 15.6669 ± 0.001 Å
• α: 90°
• β: 108.949 ± 0.002°
• γ: 90°
• Cell volume: 881.52 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.406
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No