Information card for entry 2204684

Structure parameters

• Common name: 2-Hydroxy-2-phenyl-4,7-dihydroisophosphindolinium chloride
• Chemical name: 2-hydroxy-2-phenyl-1,3,4,7-tetrahydroisophosphindenium chloride
• Formula: C14 H16 Cl O P
• Calculated formula: C14 H16 Cl O P
• SMILES: [Cl-].[P+]1(O)(CC2=C(C1)CC=CC2)c1ccccc1
• Title of publication: 2-Hydroxy-2-phenyl-4,7-dihydroisophosphindolinium chloride
• Authors of publication: Andreas Decken; Erin D. Gill; Frank Bottomley
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2221 - o2222
• a: 14.9111 ± 0.0015 Å
• b: 8.7445 ± 0.0009 Å
• c: 10.4465 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1362.1 ± 0.2 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes