Information card for entry 1505566

Structure parameters

• Formula: C18 H24 N2 O8
• Calculated formula: C18 H24 N2 O8
• SMILES: O[C@H]1[C@H]2N([C@H]2CNc2c(c(OCOC)cc(c2)C(=O)OC)[C@H]1CO)C(=O)OC
• Title of publication: Synthetic and biosynthetic studies on FR900482 and mitomycin C: an efficient and stereoselective hydroxymethylation of an advanced benzazocane intermediate.
• Authors of publication: Namiki, Hidenori; Chamberland, Stephen; Gubler, Daniel A.; Williams, Robert M.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5341 - 5344
• a: 9.786 ± 0.001 Å
• b: 10.0112 ± 0.0011 Å
• c: 10.4204 ± 0.0011 Å
• α: 90°
• β: 107.503 ± 0.002°
• γ: 90°
• Cell volume: 973.62 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0374
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No