Information card for entry 7118754

Structure parameters

• Formula: C49 H49 Cl N28 O29
• Calculated formula: C49 H49 Cl N28 O28.849
• Title of publication: Triggering autocatalytic reaction by host-guest interactions.
• Authors of publication: Sashuk, Volodymyr; Butkiewicz, Helena; Fiałkowski, Marcin; Danylyuk, Oksana
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 22
• Pages of publication: 4191 - 4194
• a: 12.6037 ± 0.0003 Å
• b: 18.505 ± 0.0006 Å
• c: 14.088 ± 0.0003 Å
• α: 90°
• β: 97.74 ± 0.002°
• γ: 90°
• Cell volume: 3255.83 ± 0.15 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0904
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2577
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No