Information card for entry 1504177

Structure parameters

• Common name: 09105a
• Formula: C22 H19 N O5
• Calculated formula: C22 H19 N O5
• SMILES: O=C1O[C@H]([C@H](N1c1oc(c(c1)C(=O)OC)C)c1ccccc1)c1ccccc1
• Title of publication: Highly substituted 2-amido-furans from Rh(II)-catalyzed cyclopropenations of ynamides.
• Authors of publication: Li, Hongyan; Hsung, Richard P.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 19
• Pages of publication: 4462 - 4465
• a: 5.7776 ± 0.0007 Å
• b: 16.337 ± 0.002 Å
• c: 20.021 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1889.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No