Information card for entry 7154768

Structure parameters

• Formula: C25 H19 Cl N2 O
• Calculated formula: C25 H19 Cl N2 O
• Title of publication: Effective and novel enantioselective preparation of pyranopyrazoles and pyranocoumarins that is catalyzed by a quinine-derived primary amine.
• Authors of publication: Yang, Sai; Shen, Liu-Lan; Kim, Yoon-Jung; Jeong, Jin-Hyun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 623 - 630
• a: 21.832 ± 0.002 Å
• b: 5.1765 ± 0.0005 Å
• c: 18.5849 ± 0.0019 Å
• α: 90°
• β: 103.747 ± 0.002°
• γ: 90°
• Cell volume: 2040.2 ± 0.3 ų
• Cell temperature: 303.9 K
• Ambient diffraction temperature: 303.9 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No