Information card for entry 7151480

Structure parameters

• Formula: C31 H57 Cl N2 P2 S
• Calculated formula: C31 H57 Cl N2 P2 S
• SMILES: Cl/C(=P\c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)P(=S)(N(C(C)C)C(C)C)N(C(C)C)C(C)C
• Title of publication: Preparation, structure and coordination properties of 3,3-bis(diisopropylamino)-3-thioxo-1-(2,4,6-tri-tert-butylphenyl)-1,3-diphosphapropene
• Authors of publication: Liang, Hongze; Ito, Shigekazu; Yoshifuji, Masaaki
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 17
• Pages of publication: 3054
• a: 14.28 ± 0.0004 Å
• b: 25.481 ± 0.002 Å
• c: 10.83 ± 0.0003 Å
• α: 92.549 ± 0.008°
• β: 111.862 ± 0.003°
• γ: 85.841 ± 0.009°
• Cell volume: 3647 ± 0.3 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.758
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No