Information card for entry 7153896

Structure parameters

• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: c12c(OC(C=C2)(C)C)c(cc2c3ccc(OC)cc3[nH]c12)C
• Title of publication: Palladium(ii)-catalysed total synthesis of naturally occurring pyrano[3,2-a]carbazole and pyrano[2,3-b]carbazole alkaloids.
• Authors of publication: Hesse, Ronny; Jäger, Anne; Schmidt, Arndt W.; Knölker, Hans-Joachim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 23
• Pages of publication: 3866 - 3876
• a: 6.763 ± 0.001 Å
• b: 8.187 ± 0.001 Å
• c: 13.881 ± 0.001 Å
• α: 90°
• β: 91.33 ± 0.01°
• γ: 90°
• Cell volume: 768.37 ± 0.16 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No