Information card for entry 7014142

Structure parameters

• Formula: C12 H9 O3 P
• Calculated formula: C12 H9 O3 P
• SMILES: P(c1occc1)(c1occc1)c1occc1
• 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: 7.4103 ± 0.0001 Å
• b: 11.7716 ± 0.0001 Å
• c: 24.7644 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2160.23 ± 0.04 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• 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: 0.0327
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No