Information card for entry 7024390

Structure parameters

• Formula: C24 H18 Br O2 P
• Calculated formula: C24 H18 Br O2 P
• SMILES: P(c1ccc2c3c(ccc(Br)c13)CC2)(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: 7.2718 ± 0.0009 Å
• b: 8.0587 ± 0.0009 Å
• c: 33.861 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1984.3 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.1014
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.2006
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.274
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No