Information card for entry 7053469

Structure parameters

• Common name: CMC0772a
• Formula: C21 H19 N O3
• Calculated formula: C21 H19 N O3
• SMILES: O=C1O[C@@H]([C@@H](N1[C@]12C(=O)CC[C@H]1C2)c1ccccc1)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: 10.959 ± 0.002 Å
• b: 6.0746 ± 0.0012 Å
• c: 12.943 ± 0.003 Å
• α: 90°
• β: 102.432 ± 0.003°
• γ: 90°
• Cell volume: 841.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0587
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.41328 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No