Information card for entry 7104752

Structure parameters

• Formula: C24 H28 N2 O3 S
• Calculated formula: C24 H28 N2 O3 S
• SMILES: c1(ccc(cc1)C)S(=O)(=O)/N=C\1N2[C@H](CO1)C[C@@H](C1(C2)CCCC1)c1ccccc1.c1(ccc(cc1)C)S(=O)(=O)/N=C\1N2[C@@H](CO1)C[C@H](C1(C2)CCCC1)c1ccccc1
• Title of publication: Platinum-catalysed aerobic 1,2-aminooxygenation of alkenes.
• Authors of publication: Muñiz, Kilian; Iglesias, Alvaro; Fang, Yewen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 37
• Pages of publication: 5591 - 5593
• a: 6.394 ± 0.0002 Å
• b: 12.6597 ± 0.0007 Å
• c: 14.1192 ± 0.0007 Å
• α: 76.514 ± 0.002°
• β: 77.422 ± 0.003°
• γ: 88.597 ± 0.003°
• Cell volume: 1084.29 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No