Information card for entry 7126052

Structure parameters

• Formula: C16 H15 N3 O3
• Calculated formula: C16 H15 N3 O3
• Title of publication: Mn-catalyzed radical initiated domino transformation of alkynylated cyclohexadienones with TMSN₃ and O₂ to bicyclic azido alcohols.
• Authors of publication: Pal, Pranesh; Mainkar, Prathama S.; Nayani, Kiranmai; Chandrasekhar, Srivari
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 23
• Pages of publication: 3453 - 3456
• a: 7.053 ± 0.005 Å
• b: 18.102 ± 0.012 Å
• c: 11.924 ± 0.007 Å
• α: 90°
• β: 106.894 ± 0.01°
• γ: 90°
• Cell volume: 1456.7 ± 1.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1154
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No