Information card for entry 7705333

Structure parameters

• Chemical name: IB-282
• Formula: C18 H20 N2 O4 P2 S4
• Calculated formula: C18 H20 N2 O4 P2 S4
• SMILES: S1C2P3C4N(C(=S)SC=4P(C=2N(C1=S)CCC)C(=C3C(=O)OC)C(=O)OC)CCC
• Title of publication: [4 + 2]-Cycloadditions of a thiazol-based tricyclic 1,4-diphosphinine and a new easy 1,4-diphosphinine protection deprotection strategy.
• Authors of publication: Begum, Imtiaz; Kalisch, Tim; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12776 - 12779
• a: 10.1125 ± 0.0006 Å
• b: 10.126 ± 0.0006 Å
• c: 11.907 ± 0.0007 Å
• α: 77.826 ± 0.003°
• β: 75.301 ± 0.003°
• γ: 89.011 ± 0.003°
• Cell volume: 1151.99 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No