Information card for entry 7124795

Structure parameters

• Chemical name: Ethyl (1R*,2S*,10S*,11R*,12S*)-5-benzyl-9-oxo-15-oxa-5,8-diazatetracyclo[10.2.1.0^1^,^1^°.0^2^,8]pentadecane-11-carboxylate
• Formula: C22 H28 N2 O4
• Calculated formula: C22 H28 N2 O4
• Title of publication: A biosynthesis-inspired approach to over twenty diverse natural product-like scaffolds.
• Authors of publication: Firth, James D.; Craven, Philip G. E.; Lilburn, Matthew; Pahl, Axel; Marsden, Stephen P.; Nelson, Adam
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 63
• Pages of publication: 9837 - 9840
• a: 9.67334 ± 0.00014 Å
• b: 11.20885 ± 0.00018 Å
• c: 18.6086 ± 0.0002 Å
• α: 90°
• β: 94.3265 ± 0.0014°
• γ: 90°
• Cell volume: 2011.93 ± 0.05 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No