Information card for entry 1529087

Structure parameters

• Formula: C70 H74 N6
• Calculated formula: C70 H74 N6
• Title of publication: A crystalline sponge based on dispersive forces suitable for X-ray structure determination of included molecular guests
• Authors of publication: Sanna, Elena; Escudero-Adán, Eduardo C.; Bauzá, Antonio; Ballester, Pablo; Frontera, Antonio; Rotger, Carmen; Costa, Antonio
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 5466
• a: 35.689 ± 0.004 Å
• b: 5.9481 ± 0.0006 Å
• c: 28.84 ± 0.003 Å
• α: 90°
• β: 97.562 ± 0.006°
• γ: 90°
• Cell volume: 6069 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0931
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.2101
• Weighted residual factors for all reflections included in the refinement: 0.2312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No