Information card for entry 7027961

Structure parameters

• Chemical name: 2,4-(naphthalene-1,8-diyl)-3-trimethyl silyl-1,3,2,4-thiazadiphosphetidine-2,4- disulfide
• Formula: C13 H15 N P2 S3 Si
• Calculated formula: C13 H15 N P2 S3 Si
• SMILES: S=P12SP(=S)(N1[Si](C)(C)C)c1c3c2cccc3ccc1
• Title of publication: New P–S–N containing ring systems. Reaction of 2,4-(naphthalene-1,8-diyl)-1,3,2,4-dithiadiphosphetane 2,4-disulfide and its 4-methoxynaphthalene derivative with hexamethyldisilazane
• Authors of publication: Kilián, Petr; Marek, Jaromír; Marek, Radek; Tou·ín, Jiøí; Humpa, Otakar; Novosad, Josef; Woollins, J. Derek
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 7
• Pages of publication: 1175
• a: 8.9437 ± 0.0015 Å
• b: 11.49 ± 0.002 Å
• c: 17.165 ± 0.004 Å
• α: 76.08 ± 0.02°
• β: 89.74 ± 0.02°
• γ: 87.545 ± 0.015°
• Cell volume: 1710.5 ± 0.6 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0492
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 0.884
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No