Information card for entry 7246176

Structure parameters

• Formula: C18 H23 N2 O P Se
• Calculated formula: C18 H23 N2 O P Se
• SMILES: [Se]=P(NCCN1CCOCC1)(c1ccccc1)c1ccccc1
• 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: 6.8367 ± 0.0003 Å
• b: 28.7426 ± 0.0013 Å
• c: 9.8648 ± 0.0006 Å
• α: 90°
• β: 109.255 ± 0.005°
• γ: 90°
• Cell volume: 1830.04 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No