Information card for entry 4023081

Structure parameters

• Formula: C23 H19 N3 O2
• Calculated formula: C23 H19 N3 O2
• SMILES: c1ccccc1CC(=O)Nc1cccc2cc(C(=O)Nc3ccccc3)[nH]c12
• Title of publication: 2,7-Functionalized Indoles as Receptors for Anions
• Authors of publication: Gareth W. Bates; Triyanti; Mark E. Light; Markus Albrecht; Philip A. Gale
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 8921 - 8927
• a: 23.6704 ± 0.0005 Å
• b: 9.3018 ± 0.0002 Å
• c: 16.9937 ± 0.0003 Å
• α: 90°
• β: 98.944 ± 0.001°
• γ: 90°
• Cell volume: 3696.13 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0832
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No