Information card for entry 7062601

Structure parameters

• Formula: C22 H21 N3 O2
• Calculated formula: C22 H19 N3 O
• SMILES: O=C1c2ccccc2c2ccccc2/C1=N/Nc1ccc(N(C)C)cc1
• 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: 26.8526 ± 0.0011 Å
• b: 26.8526 ± 0.0011 Å
• c: 5.057 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3646.4 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No