Information card for entry 7116453

Structure parameters

• Formula: C20 H17 N3 O3
• Calculated formula: C20 H17 N3 O3
• Title of publication: Combining silver- and organocatalysis: an enantioselective sequential catalytic approach towards pyrano-annulated pyrazoles
• Authors of publication: Daniel Hack; Pankaj Chauhan; Kristina Deckers; Yusuke Mizutani; Gerhard Raabe; Dieter Enders
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 2266
• a: 5.3666 ± 0.0003 Å
• b: 14.0877 ± 0.0007 Å
• c: 11.0289 ± 0.0006 Å
• α: 90°
• β: 94.065 ± 0.003°
• γ: 90°
• Cell volume: 831.72 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.031
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 1.271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No