Information card for entry 7030510

Structure parameters

• Formula: C16 H20 B P
• Calculated formula: C16 H20 B P
• SMILES: [P]1(c2ccc3c4c(ccc1c24)CC3)(C(C)(C)C)[BH3]
• Title of publication: Phosphorus peri-bridged acenaphthenes: efficient syntheses, characterisation and quaternization reactions
• Authors of publication: Wawrzyniak, Piotr; Slawin, Alexandra M. Z.; Fuller, Amy L.; Woollins, J. Derek; Kilian, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 38
• Pages of publication: 7883 - 7884
• a: 10.421 ± 0.002 Å
• b: 7.5169 ± 0.0016 Å
• c: 19.287 ± 0.005 Å
• α: 90°
• β: 104.317 ± 0.005°
• γ: 90°
• Cell volume: 1463.9 ± 0.6 ų
• Cell temperature: 125.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002333
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No