Information card for entry 4301658

Structure parameters

• Formula: C25 H28 Cl F3 N3 P
• Calculated formula: C25 H28 Cl F3 N3 P
• Title of publication: Intramolecular Hydrogen-Bonded Tertiary Phosphines as 1,3,5-Triaza-7-phosphaadamantane (PTA) Analogues
• Authors of publication: Allen T. Ekubo; Mark R. J. Elsegood; Andrew J. Lake; Martin B. Smith
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2633 - 2638
• a: 13.7194 ± 0.0015 Å
• b: 18.513 ± 0.002 Å
• c: 9.5476 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 40
• Hermann-Mauguin space group symbol: A m a 2
• Hall space group symbol: A 2 -2a
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1281
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No