Information card for entry 7151559

Structure parameters

• Formula: C18 H23 Cl3 N2 O5
• Calculated formula: C18 H23 Cl3 N2 O5
• SMILES: O=C(OC(C)(C)C)N1c2ccccc2[C@]2(O)C[C@H](N[C@H]12)C(=O)OC.C(Cl)(Cl)Cl
• Title of publication: A rapid stereocontrolled synthesis of the 3a-hydroxy-pyrrolo[2,3-b]indole skeleton, a building block for 10b-hydroxy-pyrazino[1?,2?:1,5]pyrrolo[2,3-b]indole-1,4-diones
• Authors of publication: Ley, Steven V.; Cleator, Ed; Hewitt, Peter R.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2003
• Journal volume: 1
• Journal issue: 20
• Pages of publication: 3492
• a: 12.2184 ± 0.0006 Å
• b: 6.3844 ± 0.0003 Å
• c: 14.8429 ± 0.0009 Å
• α: 90°
• β: 108.081 ± 0.002°
• γ: 90°
• Cell volume: 1100.68 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.156
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No