Information card for entry 7200920

Structure parameters

• Formula: C20 H25 N O2
• Calculated formula: C20 H25 N O2
• Title of publication: Breaking the trigonal host packing motif of Dianin's compound
• Authors of publication: Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 1545
• a: 8.1953 ± 0.0014 Å
• b: 16.005 ± 0.003 Å
• c: 12.769 ± 0.002 Å
• α: 90°
• β: 99.83 ± 0.003°
• γ: 90°
• Cell volume: 1650.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0711
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No