Information card for entry 7014147

Structure parameters

• Formula: C25 H20 N O2 P S
• Calculated formula: C25 H20 N O2 P S
• SMILES: S(=O)(=O)(N=P1(c2ccccc2c2c1cccc2)c1ccccc1)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: 17.9435 ± 0.0002 Å
• b: 12.2426 ± 0.0001 Å
• c: 18.7133 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4110.85 ± 0.09 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: 0.033
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No