Information card for entry 2226360

Structure parameters

• Chemical name: Triethylammonium 1,1'-binaphthyl-2,2'-diyl phosphate
• Formula: C26 H28 N O4 P
• Calculated formula: C26 H28 N O4 P
• SMILES: c12ccc3ccccc3c1c1c3ccccc3ccc1OP(=O)(O2)[O-].CC[NH+](CC)CC
• Title of publication: Triethylammonium 1,1'-binaphthyl-2,2'-diyl phosphate
• Authors of publication: Gowda, Ravikumar R.; Ramkumar, Venkatachalam; Chakraborty, Debashis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1625
• a: 8.4605 ± 0.0002 Å
• b: 13.3603 ± 0.0004 Å
• c: 20.5688 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2324.99 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes