Information card for entry 1573041

Structure parameters

• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• Title of publication: Merging nucleophilic phosphine catalysis and photocatalysis for the rapid assembly of 2-oxabicyclo-[2.1.1]hexane scaffolds from feedstock allyl alcohols.
• Authors of publication: Whalley, David M.; Carlino, Luca; Putra, Okky Dwichandra; Anderson, Niall A.; Coote, Susannah C.; Lorthioir, Olivier
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 19564 - 19570
• a: 11.83321 ± 0.0001 Å
• b: 6.75791 ± 0.00005 Å
• c: 14.58577 ± 0.00012 Å
• α: 90°
• β: 106.275 ± 0.0009°
• γ: 90°
• Cell volume: 1119.65 ± 0.016 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0339
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No