Information card for entry 1519233

Structure parameters

• Formula: C23 H26 N2 O3
• Calculated formula: C23 H26 N2 O3
• SMILES: O1CCN(CC1)c1ccccc1C(O)(C#C)c1ccc(N2CCOCC2)cc1
• Title of publication: C23H26N2O3
• Authors of publication: Heron, Mark; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 805
• a: 13.189 ± 0.003 Å
• b: 9.3 ± 0.002 Å
• c: 16.258 ± 0.003 Å
• α: 90°
• β: 102.79 ± 0.03°
• γ: 90°
• Cell volume: 1944.7 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No