Information card for entry 1570140

Structure parameters

• Chemical name: SS-P4-3a
• Formula: C2.08 H2.24 N0.32 O0.48
• Calculated formula: C2.08 H2.24 N0.32 O0.48
• Title of publication: Skeletal rearrangement through photocatalytic denitrogenation: access to C-3 aminoquinolin-2(1<i>H</i>)-ones.
• Authors of publication: Singh, Swati; Chakrabortty, Gopal; Raha Roy, Sudipta
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 44
• Pages of publication: 12541 - 12547
• a: 7.7425 ± 0.0015 Å
• b: 8.7545 ± 0.0018 Å
• c: 18.745 ± 0.004 Å
• α: 101.445 ± 0.007°
• β: 91.78 ± 0.006°
• γ: 93.333 ± 0.006°
• Cell volume: 1242 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1437
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No