Information card for entry 1519460

Structure parameters

• Formula: C22 H28 N2 O2
• Calculated formula: C22 H28 N2 O2
• SMILES: c1(ccccc1)CN1CCO[C@]2(C)[C@@]1(C)OCCN2Cc1ccccc1.c1(ccccc1)CN1CCO[C@@]2(C)[C@]1(C)OCCN2Cc1ccccc1
• Title of publication: C11H14NO
• Authors of publication: Wood, Mark E.; Coles, Simon J.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2002
• Pages of publication: 896
• a: 17.1687 ± 0.0003 Å
• b: 6.0927 ± 0.0001 Å
• c: 18.4778 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1932.85 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No