Information card for entry 1503625

Structure parameters

• Formula: C19 H23 N3 O3
• Calculated formula: C19 H23.001 N3 O3
• Title of publication: Total synthesis of an oxepine natural product, (±)-janoxepin.
• Authors of publication: Doveston, Richard G.; Steendam, René; Jones, Stuart; Taylor, Richard J. K.
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1122 - 1125
• a: 13.058 ± 0.0005 Å
• b: 13.0653 ± 0.0005 Å
• c: 14.077 ± 0.0006 Å
• α: 97.904 ± 0.004°
• β: 105.81 ± 0.004°
• γ: 112.461 ± 0.004°
• Cell volume: 2055.14 ± 0.18 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0934
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No