Information card for entry 7246177

Structure parameters

• Formula: C22 H22 N2 O
• Calculated formula: C22 H22 N2 O
• SMILES: N(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccc(C)cc1
• Title of publication: A binuclear aluminium complex as a single competent catalyst for efficient synthesis of urea, biuret, isourea, isothiourea, phosphorylguanidine, and quinazolinones
• Authors of publication: Bano, Kulsum; Sharma, Jyoti; Jain, Archana; Tsurugi, Hayato; Panda, Tarun K.
• Journal of publication: RSC Advances
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 3020 - 3032
• a: 10.242 ± 0.012 Å
• b: 15.493 ± 0.018 Å
• c: 11.726 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1861 ± 4 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: 0.4657
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.3236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No