Information card for entry 1505601

Structure parameters

• Formula: C19 H16 Cl N O2
• Calculated formula: C19 H16 Cl N O2
• SMILES: ClCC12OC(=O)C(=C/c3ccccc3)/N1CCc1c2cccc1
• Title of publication: Base-promoted reactions of dichlorocarbene adducts of cyclic enamines: a new route to annulated pyrroles.
• Authors of publication: Bissember, Alex C.; Phillis, Andrew T.; Banwell, Martin G.; Willis, Anthony C.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5421 - 5424
• a: 8.8875 ± 0.0002 Å
• b: 19.4706 ± 0.0003 Å
• c: 9.093 ± 0.0001 Å
• α: 90°
• β: 92.3248 ± 0.0011°
• γ: 90°
• Cell volume: 1572.2 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for all reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0323
• Weighted residual factors for all reflections included in the refinement: 0.0323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No