Information card for entry 1504895

Structure parameters

• Formula: C17 H19 N O4
• Calculated formula: C17 H19 N O4
• SMILES: C1=C2[C@@H](C[C@H]([C@@H]1O)OC)N1Cc3cc4OCOc4cc3[C@H]2C1
• Title of publication: A chemoenzymatic total synthesis of the structure assigned to the alkaloid (+)-montabuphine.
• Authors of publication: Matveenko, Maria; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4693 - 4696
• a: 10.5581 ± 0.0006 Å
• b: 10.9515 ± 0.0008 Å
• c: 12.6633 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1464.22 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for all reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No