Information card for entry 7125321

Structure parameters

• Chemical name: 5-azoniaspiro[4.4]nonane 10-phenyl-9-phosphatriptycene-10-borate
• Formula: C36 H41 B N O P
• Calculated formula: C36 H41 B N O P
• Title of publication: Fusing triphenylphosphine with tetraphenylborate: introducing the 9-phosphatriptycene-10-phenylborate (PTB) anion.
• Authors of publication: Drover, Marcus W.; Nagata, Koichi; Peters, Jonas C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 57
• Pages of publication: 7916 - 7919
• a: 10.0854 ± 0.001 Å
• b: 17.8383 ± 0.0016 Å
• c: 16.192 ± 0.0016 Å
• α: 90°
• β: 96.009 ± 0.004°
• γ: 90°
• Cell volume: 2897 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No