Information card for entry 7236695

Structure parameters

• Formula: C56 H86 N8 O14
• Calculated formula: C56 H86 N8 O14
• Title of publication: Formation of toroids by self-assembly of an α‒α corner mimetic: supramolecular cyclization
• Authors of publication: Podder, Debasish; Bera, Santu; Debnath, Mintu; Das, Tanmay; Haldar, Debasish
• Journal of publication: Journal of Materials Chemistry B
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 36
• Pages of publication: 7583
• a: 9.9937 ± 0.0002 Å
• b: 9.9937 ± 0.0002 Å
• c: 64.144 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6406.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No