Information card for entry 7053468

Structure parameters

• Common name: 09021a
• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: O=C1OC[C@H](N1[C@@]12C(=O)CC[C@@H]1C2)Cc1ccccc1
• 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: 11.821 ± 0.003 Å
• b: 5.9677 ± 0.0017 Å
• c: 29.515 ± 0.008 Å
• α: 90°
• β: 94.257 ± 0.004°
• γ: 90°
• Cell volume: 2076.4 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No