Information card for entry 7202999

Structure parameters

• Formula: C14 H20 N2
• Calculated formula: C14 H20 N2
• SMILES: N1c2c3N[C@H](CCc3ccc2CC[C@@H]1C)C.N1c2c3N[C@@H](CCc3ccc2CC[C@H]1C)C
• Title of publication: On the quantitative recycling of Raney‒Nickel catalysts on a lab-scale
• Authors of publication: Waldemar M. Czaplik; Jörg-M. Neudörfl; Axel Jacobi von Wangelin
• Journal of publication: Green Chemistry
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 1163
• a: 8.952 ± 0.002 Å
• b: 10.126 ± 0.003 Å
• c: 14.757 ± 0.004 Å
• α: 70.511 ± 0.01°
• β: 79.526 ± 0.01°
• γ: 76.96 ± 0.01°
• Cell volume: 1220.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2461
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No