Information card for entry 1505599

Structure parameters

• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: O1Cc2n(CC1)c1c(CCc3ccccc13)c2
• 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: 8.0935 ± 0.0003 Å
• b: 8.065 ± 0.0003 Å
• c: 35.0669 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2288.96 ± 0.16 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No