Information card for entry 7246178

Structure parameters

• Formula: C20 H28 Al N2 O P Se
• Calculated formula: C20 H28 Al N2 O P Se
• SMILES: P(c1ccccc1)(c1ccccc1)(N1[Al]([N]2(CC1)CCOCC2)(C)C)=[Se]
• 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: 7.6068 ± 0.0002 Å
• b: 19.9624 ± 0.0007 Å
• c: 14.6284 ± 0.0005 Å
• α: 90°
• β: 91.245 ± 0.003°
• γ: 90°
• Cell volume: 2220.8 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.053
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No