Information card for entry 7053470

Structure parameters

• Common name: 07221
• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: O=C1OC[C@H](N1[C@]12C[C@H]1CCCC2=O)c1ccccc1
• Title of publication: A Stereoselective Intramolecular Cyclopropanation via a De Novo Class of Push-Pull Carbenes Derived from DMDO-Epoxidations of Chiral Ynamides.
• Authors of publication: Li, Hongyan; Antoline, Jennifer E.; Yang, Jin-Haek; Al-Rashid, Ziyad F; Hsung, Richard P.
• Journal of publication: New journal of chemistry = Nouveau journal de chimie
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1309 - 1316
• a: 10.2183 ± 0.0009 Å
• b: 10.4772 ± 0.0009 Å
• c: 12.5802 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1346.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No