Information card for entry 7062743

Structure parameters

• Formula: C19 H14 N2 O
• Calculated formula: C19 H14 N2 O
• SMILES: O=C1/C(=N\Nc2ccccc2C)c2c3c1cccc3ccc2
• Title of publication: Mono(arylhydrazino)acenaphthenones as a platform for the design of NIR chromophores based on Pd(ii)-BIAN complexes
• Authors of publication: Bakaev, I. V.; Romashev, N. F.; Komlyagina, V. I.; Samsonenko, D. G.; Gushchin, A. L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 40
• Pages of publication: 18825 - 18834
• a: 13.221 ± 0.005 Å
• b: 14.527 ± 0.006 Å
• c: 7.465 ± 0.002 Å
• α: 90°
• β: 98.802 ± 0.012°
• γ: 90°
• Cell volume: 1416.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1637
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No