Information card for entry 7056391

Structure parameters

• Common name: none
• Chemical name: dimethyl 4,4'-((4,4'-((2,7-di-tert-butyl-9,9-dimethyl-9H- xanthene-4,5-dicarbonyl)bis(azanediyl)) bis(3-isobutoxybenzoyl))bis(azanediyl)) bis(3-isobutoxybenzoate)
• Formula: C71 H86 N4 O13
• Calculated formula: C71 H86 N4 O13
• Title of publication: Characterization of aggregated morphologies derived from mono- and bis-arylbenzamides – potential alpha-helix mimetics
• Authors of publication: Kulikov, Oleg V.; Sevryugina, Yulia V.; Mehmood, Arshad; Saraogi, Ishu
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 7417 - 7423
• a: 8.4076 ± 0.0003 Å
• b: 37.3169 ± 0.0017 Å
• c: 21.4037 ± 0.001 Å
• α: 90°
• β: 95.689 ± 0.001°
• γ: 90°
• Cell volume: 6682.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No