Information card for entry 7159627

Structure parameters

• Formula: C16 H17 N O
• Calculated formula: C16 H17 N O
• Title of publication: Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.
• Authors of publication: Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 45
• Pages of publication: 9065 - 9069
• a: 6.14568 ± 0.0001 Å
• b: 12.1476 ± 0.0002 Å
• c: 16.5252 ± 0.0003 Å
• α: 90°
• β: 90.6799 ± 0.0016°
• γ: 90°
• Cell volume: 1233.61 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.97 ± 0.18 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No