Information card for entry 2011535

Structure parameters

• Chemical name: 3α-Tosyloxymethyltropane(N^8^—B)‒borane
• Formula: C16 H26 B N O3 S
• Calculated formula: C16 H26 B N O3 S
• SMILES: S(=O)(=O)(OCC1C[C@@H]2[N]([C@H](C1)CC2)(C)[BH3])c1ccc(C)cc1
• Title of publication: 3α-Tosyloxymethyltropane(<i>N</i>^8^‒<i>B</i>)borane
• Authors of publication: Batsanov, Andrei S.; Howard, Judith A. K.; O'Hagan, David; Tavasli, Mustafa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: e512 - e513
• a: 21.443 ± 0.002 Å
• b: 7.959 ± 0.001 Å
• c: 10.224 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1744.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.066
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes