Information card for entry 7014148

Structure parameters

• Formula: C12 H9 As O3
• Calculated formula: C12 H9 As O3
• SMILES: [As](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: 7.7909 ± 0.0001 Å
• b: 8.1618 ± 0.0001 Å
• c: 17.2498 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1096.88 ± 0.03 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No