Information card for entry 7157550

Structure parameters

• Common name: 5
• Formula: C16 H17 N
• Calculated formula: C16 H17 N
• Title of publication: [1,2]-Rearrangement of iminium salts provides access to heterocycles with adamantane scaffold.
• Authors of publication: Zonker, Benjamin; Duman, Ediz; Hausmann, Heike; Becker, Jonathan; Hrdina, Radim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4941 - 4945
• a: 7.2231 ± 0.0002 Å
• b: 14.5123 ± 0.0004 Å
• c: 22.3944 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2347.47 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0331
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No