Information card for entry 2228823

Structure parameters

• Chemical name: 3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxy-<i>N</i>-isopropylpropanaminium 1,1'-binaphthyl-2,2'-diyl phosphate
• Formula: C34 H35 N2 O7 P
• Calculated formula: C34 H35 N2 O7 P
• Title of publication: 3-[4-(2-Amino-2-oxoethyl)phenoxy]-2-hydroxy-<i>N</i>-isopropylpropanaminium 1,1'-binaphthyl-2,2'-diyl phosphate
• Authors of publication: Wang, En-Ju; Chen, Guang-Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o91
• a: 9.8646 ± 0.0014 Å
• b: 26.145 ± 0.004 Å
• c: 11.9306 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3077 ± 0.8 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes