Information card for entry 7246179

Structure parameters

• Formula: C23 H37 Al2 N2 O P Se
• Calculated formula: C23 H37 Al2 N2 O P Se
• SMILES: [Al]1(N(P(=[Se])(c2ccccc2)c2ccccc2)CC[N]21CC[O]([Al](C)(C)C)CC2)(C)C
• 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: 14.1432 ± 0.0005 Å
• b: 7.1641 ± 0.0002 Å
• c: 27.1954 ± 0.0016 Å
• α: 90°
• β: 94.638 ± 0.004°
• γ: 90°
• Cell volume: 2746.5 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No