Information card for entry 7047163

Structure parameters

• Chemical name: 1-((1R,2S,5R)-(-)-menthyl)methyl)-2,3,4,5-tetraphenylphosphole-1-oxide
• Formula: C39 H41 O2 P
• Calculated formula: C39 H41 O2 P
• Title of publication: Novel enantiopure monophospholes: synthesis, spatial and electronic structure, photophysical characteristics and conjugation effects.
• Authors of publication: Oshchepkova, Elena; Zagidullin, Almaz; Burganov, Timur; Katsyuba, Sergey; Miluykov, Vasily; Lodochnikova, Olga
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11521 - 11529
• a: 25.309 ± 0.002 Å
• b: 11.6311 ± 0.001 Å
• c: 24.649 ± 0.002 Å
• α: 90°
• β: 117.22 ± 0.005°
• γ: 90°
• Cell volume: 6452.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.2454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No