Information card for entry 7125965

Structure parameters

• Formula: C79 H191.2 N24 O74.1 P6
• Calculated formula: C79 H151 N24 O74.1 P6
• Title of publication: Supramolecular traps for highly phosphorylated inositol sources of phosphorus.
• Authors of publication: Pramanik, Subhamay; Day, Victor W.; Bowman-James, Kristin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 22
• Pages of publication: 3269 - 3272
• a: 49.267 ± 0.004 Å
• b: 14.9082 ± 0.0012 Å
• c: 39.726 ± 0.003 Å
• α: 90°
• β: 100.616 ± 0.004°
• γ: 90°
• Cell volume: 28679 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1601
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.3241
• Weighted residual factors for all reflections included in the refinement: 0.3657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No