Information card for entry 1501955

Structure parameters

• Formula: C19 H19 N O
• Calculated formula: C19 H19 N O
• SMILES: O1C2(CC2)C21CN(C2)C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of novel angular spirocyclic azetidines.
• Authors of publication: Guérot, Carine; Tchitchanov, Boris H.; Knust, Henner; Carreira, Erick M.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 4
• Pages of publication: 780 - 783
• a: 8.191 ± 0.0016 Å
• b: 9.456 ± 0.0019 Å
• c: 10.496 ± 0.002 Å
• α: 95.84 ± 0.03°
• β: 99.81 ± 0.03°
• γ: 110.54 ± 0.03°
• Cell volume: 738.6 ± 0.3 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No