Information card for entry 7157551

Structure parameters

• Common name: 8
• Formula: C20 H26 N O
• Calculated formula: C20 H26 N O
• SMILES: O=[N]1C(C)(C)c2ccccc2C23[C@]1(C)C1C[C@@H](C2)C[C@H](C1)C3.O=[N]1C(C)(C)c2ccccc2C23[C@@]1(C)C1C[C@H](C2)C[C@@H](C1)C3
• 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: 27.1498 ± 0.0009 Å
• b: 10.3031 ± 0.0003 Å
• c: 11.3085 ± 0.0004 Å
• α: 90°
• β: 91.1403 ± 0.0016°
• γ: 90°
• Cell volume: 3162.67 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No