Information card for entry 1551332

Structure parameters

• Formula: C154 H208.5 Cl9 N24 O11.75
• Calculated formula: C154 H199 Cl9 N24 O11.75
• Title of publication: Trapping virtual pores by crystal retro-engineering
• Authors of publication: Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper
• Journal of publication: Nature Chemistry
• Year of publication: 2015
• Journal volume: 7
• Pages of publication: 153 - 159
• a: 34.796 ± 0.003 Å
• b: 19.8984 ± 0.0014 Å
• c: 26.7636 ± 0.0018 Å
• α: 90°
• β: 93.452 ± 0.002°
• γ: 90°
• Cell volume: 18497 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1833
• Residual factor for significantly intense reflections: 0.1641
• Weighted residual factors for significantly intense reflections: 0.4202
• Weighted residual factors for all reflections included in the refinement: 0.4368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No