Information card for entry 4022711

Structure parameters

• Formula: C19 H24 N2 O
• Calculated formula: C19 H24 N2 O
• SMILES: c1ccccc1[C@H]([C@@]1([C@@H]2[C@H]1C(=O)CCC2)C#N)[C@@H](N(C)C)C
• Title of publication: Strained Azetidinium Ylides: New Reagents for Cyclopropanation
• Authors of publication: François Couty; Olivier David; Bénédicte Larmanjat; Jérôme Marrot
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 1058 - 1061
• a: 10.094 ± 0.0005 Å
• b: 12.5122 ± 0.0004 Å
• c: 13.8767 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1752.6 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0918
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No