Information card for entry 7050420

Structure parameters

• Formula: C9 H20 Cl2 N2
• Calculated formula: C9 H20 Cl2 N2
• SMILES: [Cl-].[Cl-].[NH2+]([C@H]1[C@H]([NH2+]C)[C@@H]2CC[C@H]1C2)C
• Title of publication: A novel asymmetric synthesis of highly enantiomerically enriched norbornane-type diamine derivatives
• Authors of publication: Bolm, Carsten; Schiffers, Ingo; Atodiresei, Iuliana; Ozcubukcu, Salih; Raabe, Gerhard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2003
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 14
• a: 6.9118 ± 0.0002 Å
• b: 8.1756 ± 0.0002 Å
• c: 21.0256 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1188.12 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.212
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections: 4.385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No