Information card for entry 7135459

Structure parameters

• Formula: C27 H20 F N3 O3
• Calculated formula: C27 H20 F N3 O3
• Title of publication: Photosensitizer-free polarity-mismatched electrophilic α,α-bis-functionalization of acetone with quinoxaline and maleimide.
• Authors of publication: Boruah, Deepjyoti; Ghosh, Subhendu; Mandal, Raju; Patel, Bhisma K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 15
• Pages of publication: 4561 - 4564
• a: 9.5015 ± 0.0007 Å
• b: 10.5542 ± 0.0008 Å
• c: 12.0742 ± 0.0009 Å
• α: 68.976 ± 0.002°
• β: 87.437 ± 0.002°
• γ: 76.468 ± 0.002°
• Cell volume: 1097.8 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No