Information card for entry 7153664

Structure parameters

• Formula: C44 H118 N12 O43 S6
• Calculated formula: C44 H118 N12 O43 S6
• Title of publication: Encapsulation and selectivity of sulfate with a furan-based hexaazamacrocyclic receptor in water.
• Authors of publication: Rhaman, Md Mhahabubur; Ahmed, Lucky; Wang, Jing; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 13
• Pages of publication: 2045 - 2048
• a: 13.0481 ± 0.0005 Å
• b: 13.2273 ± 0.0005 Å
• c: 23.4746 ± 0.0008 Å
• α: 102.934 ± 0.002°
• β: 93.491 ± 0.002°
• γ: 100.629 ± 0.003°
• Cell volume: 3858.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No