Information card for entry 2011214

Structure parameters

• Formula: C30 H27 O2 P
• Calculated formula: C30 H27 O2 P
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.O=C/C=C\C=C[O-]
• Title of publication: Benzyltriphenylphosphonium glutaconaldehyde
• Authors of publication: Muthuraman, Meiyappan; Nicoud, Jean-François; Masse, René; Desiraju, Gautam R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 986 - 988
• a: 12.983 ± 0.001 Å
• b: 11.435 ± 0.001 Å
• c: 17.028 ± 0.002 Å
• α: 90°
• β: 95.35 ± 0.02°
• γ: 90°
• Cell volume: 2517 ± 0.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections: 1.996
• Goodness-of-fit parameter for all reflections included in the refinement: 2
• Diffraction radiation wavelength: 0.5608 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes