Information card for entry 7062600

Structure parameters

• Formula: C20 H14 N2 O
• Calculated formula: C20 H14 N2 O
• SMILES: c1(ccccc1)N/N=C/1C(=O)c2ccccc2c2ccccc12
• Title of publication: The effect of substituents on the aggregation-induced emission of 9,10-phenanthraquinone-hydrazones
• Authors of publication: Kumar M, Naveen; Lyngkhoi, Deikrisha Lyngdoh; Gaikwad, Sudhakar; Samanta, Debabrata; Khatua, Snehadrinarayan; Pramanik, Susnata
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 32
• Pages of publication: 15066 - 15075
• a: 15.1687 ± 0.0011 Å
• b: 15.6842 ± 0.001 Å
• c: 6.438 ± 0.0004 Å
• α: 90°
• β: 101.468 ± 0.002°
• γ: 90°
• Cell volume: 1501.08 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No