Information card for entry 1508674

Structure parameters

• Formula: C28 H25.5 F N2 O4.5
• Calculated formula: C28 H25.5 F N2 O4.5
• SMILES: Fc1ccc(n2c3c4ccccc4C(=O)c3c3c(OC(=O)C)cc(c(c23)C)C)cc1.N(C=O)(C)C.O
• Title of publication: Three-component domino reactions for selective formation of indeno[1,2-b]indole derivatives.
• Authors of publication: Jiang, Bo; Li, Qiu-Yun; Tu, Shu-Jiang; Li, Guigen
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5210 - 5213
• a: 14.6566 ± 0.0015 Å
• b: 15.3994 ± 0.0017 Å
• c: 21.545 ± 0.002 Å
• α: 90°
• β: 94.645 ± 0.001°
• γ: 90°
• Cell volume: 4846.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1535
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No