Information card for entry 2010626

Structure parameters

• Chemical name: (1R,2S)-(2-N-methyl-N-4-toluenesulfonyl)amino-1-phenyl-1-propanol
• Formula: C17 H21 N O3 S
• Calculated formula: C17 H21 N O3 S
• Title of publication: (1<i>R</i>,2<i>S</i>)-2-[<i>N</i>-Methyl-<i>N</i>-(4-toluenesulfonyl)amino]-1-phenylpropan-1-ol
• Authors of publication: Chinnakali, Kandasamy; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Sriraghavan, Kamaraj; Ramakrishnan, Vayalakkavoor T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 227 - 228
• a: 6.0272 ± 0.0002 Å
• b: 18.6624 ± 0.0008 Å
• c: 7.3642 ± 0.0003 Å
• α: 90°
• β: 98.148 ± 0.001°
• γ: 90°
• Cell volume: 819.98 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No