Information card for entry 7024388

Structure parameters

• Formula: C26 H20 O4
• Calculated formula: C26 H20 O4
• SMILES: c1(ccccc1)OC(=C(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1
• Title of publication: Syntheses and characterization of bis(trifluoromethyl)phosphino naphthalenes and acenaphthenes.
• Authors of publication: Wawrzyniak, Piotr; Slawin, Alexandra M. Z.; Woollins, J. Derek; Kilian, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 85 - 92
• a: 6.1437 ± 0.0015 Å
• b: 8.3382 ± 0.0018 Å
• c: 9.72 ± 0.003 Å
• α: 86.224 ± 0.015°
• β: 88.075 ± 0.013°
• γ: 80.615 ± 0.015°
• Cell volume: 490.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No