Information card for entry 7062602

Structure parameters

• Formula: C21 H16 N2 O2
• Calculated formula: C21 H16 N2 O2
• SMILES: c1(ccc(cc1)OC)N/N=C1\C(=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: 24.6783 ± 0.0009 Å
• b: 12.9905 ± 0.0004 Å
• c: 5.0465 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1617.82 ± 0.1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No