Information card for entry 7110603

Structure parameters

• Formula: C22 H30 N2 O2
• Calculated formula: C22 H30 N2 O2
• SMILES: c1cccc2OCC[C@H](CNc3ccccc3OCC[C@@H](CNc12)C)C
• Title of publication: A new route to medium and large heterocyclic compounds
• Authors of publication: Ventrice, Tina; Campi, Eva M.; Roy Jackson, W.; Patti, Antonio F.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1463
• a: 7.045 ± 0.0005 Å
• b: 16.646 ± 0.001 Å
• c: 16.866 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1977.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 3.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No