Information card for entry 7151347

Structure parameters

• Common name: clausine H
• Formula: C16 H15 N O4
• Calculated formula: C16 H15 N O4
• SMILES: c1(c(cc2c(c1)c1c([nH]2)cc(cc1)OC)OC)C(=O)OC
• Title of publication: First total synthesis of the biologically active 2,7-dioxygenated tricyclic carbazole alkaloids 7-methoxy-O-methylmukonal, clausine H (clauszoline-C), clausine K (clauszoline-J) and clausine O.
• Authors of publication: Kataeva, Olga; Krahl, Micha P.; Knölker, Hans-Joachim
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 3099 - 3101
• a: 23.051 ± 0.001 Å
• b: 7.509 ± 0.001 Å
• c: 7.739 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.5 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No