Information card for entry 1551320

Structure parameters

• Formula: C72 H69 N11
• Calculated formula: C72 H65.7968 N11
• 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: 23.6949 ± 0.0013 Å
• b: 13.4437 ± 0.0007 Å
• c: 18.9583 ± 0.0011 Å
• α: 90°
• β: 98.83 ± 0.002°
• γ: 90°
• Cell volume: 5967.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0916
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1828
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No