Information card for entry 1505602

Structure parameters

• Formula: C27 H21 N O2
• Calculated formula: C27 H21 N O2
• SMILES: O1c2ccc(c3c4n(c5c6c(CCc35)cccc6)CCc3ccccc43)cc2OC1
• 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: 9.7467 ± 0.0005 Å
• b: 16.6619 ± 0.0009 Å
• c: 12.1852 ± 0.0007 Å
• α: 90°
• β: 100.679 ± 0.003°
• γ: 90°
• Cell volume: 1944.59 ± 0.18 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No