Information card for entry 1513911

Structure parameters

• Formula: C20 H21 N O7
• Calculated formula: C20 H21 N O7
• SMILES: O1c2c(OC)ccc3C=C(N(=O)=O)[C@H]4CC(=O)C(=C[C@@]4(C[C@@H]1OCC)c23)OC.O1c2c(OC)ccc3C=C(N(=O)=O)[C@@H]4CC(=O)C(=C[C@]4(C[C@H]1OCC)c23)OC
• Title of publication: Total synthesis of 8,14-dihydromorphinandienone alkaloids.
• Authors of publication: Ghavimi, Bahman; Magnus, Philip
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 1708 - 1711
• a: 10.348 ± 0.003 Å
• b: 10.853 ± 0.003 Å
• c: 17.384 ± 0.005 Å
• α: 102.934 ± 0.006°
• β: 93.21°
• γ: 103.857 ± 0.006°
• Cell volume: 1835 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.22
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No