Information card for entry 7123271

Structure parameters

• Formula: C27 H25 Cl2 N O2
• Calculated formula: C27 H25 Cl2 N O2
• Title of publication: Photooxygenation of 2-Propargylfurans: a Path to Structurally Diverse Nitrogen-Containing 5-Membered Rings
• Authors of publication: Marin, Lucile; Force, Guillaume; Guillot, Régis; Gandon, Vincent; Schulz, Emmanuelle; Leboeuf, David
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 8.3898 ± 0.0006 Å
• b: 14.8 ± 0.0009 Å
• c: 18.8914 ± 0.0012 Å
• α: 90°
• β: 91.871 ± 0.002°
• γ: 90°
• Cell volume: 2344.5 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No