Information card for entry 7153991

Structure parameters

• Formula: C14 H15 N O
• Calculated formula: C14 H15 N O
• SMILES: N(c1cc(OC)ccc1)c1ccc(cc1)C
• Title of publication: Total synthesis of the cyclic monoterpenoid pyrano[3,2-a]carbazole alkaloids derived from 2-hydroxy-6-methylcarbazole.
• Authors of publication: Gassner, Cemena; Hesse, Ronny; Schmidt, Arndt W.; Knölker, Hans-Joachim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 33
• Pages of publication: 6490 - 6499
• a: 8.856 ± 0.001 Å
• b: 13.861 ± 0.001 Å
• c: 10.868 ± 0.001 Å
• α: 90°
• β: 92.41 ± 0.01°
• γ: 90°
• Cell volume: 1332.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7153949
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No