Information card for entry 7160267

Structure parameters

• Formula: C19 H13 N O3
• Calculated formula: C19 H13 N O3
• Title of publication: One-pot synthesis of azepine spiro[4.6]-γ-lactams by a Hantzsch-type reaction.
• Authors of publication: Hopkins, Scarlet L.; Clarke, Kristen T.; Clegg, Jack K.; Gee, William J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 614 - 618
• a: 6.9394 ± 0.0006 Å
• b: 10.6577 ± 0.0008 Å
• c: 10.8516 ± 0.0009 Å
• α: 64.849 ± 0.008°
• β: 81.266 ± 0.007°
• γ: 87.52 ± 0.007°
• Cell volume: 717.85 ± 0.11 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No