Information card for entry 1572997

Structure parameters

• Formula: C26 H22 N5 P
• Calculated formula: C26 H22 N5 P
• SMILES: P(N(c1nc(c2nnn(c2)c2ccccc2)ccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Nickel–PNN catalysed sustainable synthesis of polysubstituted quinolines under microwave irradiation
• Authors of publication: Mohite, Manali A.; Sheokand, Sonu; Balakrishna, Maravanji S.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5959 - 5969
• a: 9.7622 ± 0.0002 Å
• b: 11.3546 ± 0.0002 Å
• c: 20.4691 ± 0.0003 Å
• α: 90°
• β: 90.507 ± 0.002°
• γ: 90°
• Cell volume: 2268.83 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0348
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No