Information card for entry 4025220

Structure parameters

• Formula: C112 H125 N9 O5
• Calculated formula: C112 H125 N9 O5
• Title of publication: Self-Assembly of C3-Symmetrical Hexaaryltriindoles Driven by Solvophobic and CH-π Interactions
• Authors of publication: Eva M. García-Frutos; Gunther Hennrich; Enrique Gutierrez; Angeles Monge; Berta Gómez-Lor
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1070 - 1076
• a: 16.998 ± 0.003 Å
• b: 17.548 ± 0.003 Å
• c: 19.521 ± 0.004 Å
• α: 76.506 ± 0.004°
• β: 70.271 ± 0.003°
• γ: 85.488 ± 0.004°
• Cell volume: 5329.6 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2559
• Residual factor for significantly intense reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.3524
• Weighted residual factors for all reflections included in the refinement: 0.3988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No