Information card for entry 7151287

Structure parameters

• Chemical name: 3-bromo-2-methoxy-6-methyl-9H-carbazole
• Formula: C14 H12 Br N O
• Calculated formula: C14 H12 Br N O
• SMILES: Brc1cc2c3cc(ccc3[nH]c2cc1OC)C
• Title of publication: First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.
• Authors of publication: Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 17
• Pages of publication: 3215 - 3219
• a: 6.642 ± 0.001 Å
• b: 7.761 ± 0.001 Å
• c: 11.984 ± 0.005 Å
• α: 90°
• β: 105.13 ± 0.03°
• γ: 90°
• Cell volume: 596.3 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No