Information card for entry 7135081

Structure parameters

• Chemical name: DNP adduct
• Formula: C2.21 H2.34 N0.28 O0.62
• Calculated formula: C2.2069 H2.34483 N0.275862 O0.62069
• Title of publication: Photoredox-driven tandem ring-opening and vinylation: a route to distal alkenyl ketones from cyclopropenes.
• Authors of publication: Biswas, Sourabh; Srinivasu, Vinjamuri; Mallick, Manasi; Chandu, Palasetty; Sureshkumar, Devarajulu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 93
• Pages of publication: 18388 - 18391
• a: 21.4354 ± 0.0002 Å
• b: 9.9487 ± 0.0001 Å
• c: 15.1153 ± 0.0002 Å
• α: 90°
• β: 104.054 ± 0.001°
• γ: 90°
• Cell volume: 3126.92 ± 0.06 ų
• Cell temperature: 281 ± 9 K
• Ambient diffraction temperature: 281 ± 9 K
• Number of distinct elements: 4
• 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: 0.066
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1805
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No