Information card for entry 1556914

Structure parameters

• Formula: C28 H30 N2 O2
• Calculated formula: C28 H30 N2 O2
• SMILES: O(C)c1ccc(cc1)C(=O)N1N(CCCC[C@@H]1c1ccccc1)C/C=C/c1ccccc1
• Title of publication: Readily accessible sp³-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.
• Authors of publication: Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1636 - 1642
• a: 8.33247 ± 0.00002 Å
• b: 15.71709 ± 0.00006 Å
• c: 17.93381 ± 0.00005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2348.65 ± 0.012 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No