Information card for entry 7031435

Structure parameters

• Formula: C47 H46 B N2 P
• Calculated formula: C47 H46 B N2 P
• SMILES: P(c1ccc(C2=c3[n]([B](n4c2c(c(c4C)CC)C)(c2ccccc2)c2ccccc2)c(c(c3C)CC)C)cc1)(c1ccccc1)c1ccccc1
• Title of publication: (B)R2BodPR2: highly fluorescent alternatives to PPh3 and PhPCy2.
• Authors of publication: Davies, Laura H.; Harrington, Ross W.; Clegg, William; Higham, Lee J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13485 - 13499
• a: 29.596 ± 0.007 Å
• b: 8.231 ± 0.002 Å
• c: 31.073 ± 0.012 Å
• α: 90°
• β: 102.186 ± 0.002°
• γ: 90°
• Cell volume: 7399 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No