Information card for entry 7014146

Structure parameters

• Formula: C25 H22 N O5 P S
• Calculated formula: C25 H22 N O5 P S
• SMILES: P(Oc1ccccc1)(Oc1ccccc1)(Oc1ccccc1)=NS(=O)(=O)c1ccc(cc1)C
• Title of publication: Unsuccessful/successful attempts to produce penta(heteroaryl)-phosphoranes/-arsoranes R5E (E = P, As; R = 2-furyl, 2-thienyl).
• Authors of publication: Monkowius, Uwe V.; Nogai, Stefan; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1610 - 1617
• a: 16.715 ± 0.0003 Å
• b: 14.863 ± 0.0003 Å
• c: 18.135 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4505.37 ± 0.13 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No