Information card for entry 1560814

Structure parameters

• Formula: C10 H20 Cl2 N2 O
• Calculated formula: C10 H20 Cl2 N2 O
• SMILES: [NH2+]1[C@@H](C[C@@H](O)N2C[C@@H](CC[C@H]12)C)C.[Cl-].[Cl-]
• Title of publication: Enantioselective hydrogenation of annulated arenes: controlled formation of multiple stereocenters in adjacent rings
• Authors of publication: Wiesenfeldt, Mario P.; Moock, Daniel; Paul, Daniel; Glorius, Frank
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 15
• Pages of publication: 5611 - 5615
• a: 8.3482 ± 0.0005 Å
• b: 6.0629 ± 0.0003 Å
• c: 13.2849 ± 0.0009 Å
• α: 90°
• β: 106.642 ± 0.002°
• γ: 90°
• Cell volume: 644.24 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0644
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No