Information card for entry 1505981

Structure parameters

• Formula: C17 H20 Cl N O3
• Calculated formula: C17 H20 Cl N O3
• SMILES: ClC1=CCCCC21N(CCO)CCc1c2cc2OCOc2c1
• Title of publication: New protocols for the assembly of the tetracyclic framework associated with the aromatic erythrina alkaloids.
• Authors of publication: Stanislawski, Pauline C.; Willis, Anthony C.; Banwell, Martin G.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2143 - 2146
• a: 7.4101 ± 0.0002 Å
• b: 10.279 ± 0.0002 Å
• c: 10.2887 ± 0.0003 Å
• α: 77.3182 ± 0.0016°
• β: 79.7927 ± 0.0016°
• γ: 81.7076 ± 0.0016°
• Cell volume: 747.91 ± 0.03 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No