Information card for entry 1529085

Structure parameters

• Formula: C70 H76 N4
• Calculated formula: C70 H76 N4
• 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: 34.833 ± 0.004 Å
• b: 5.8219 ± 0.0007 Å
• c: 28.205 ± 0.003 Å
• α: 90°
• β: 98.49 ± 0.005°
• γ: 90°
• Cell volume: 5657.1 ± 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: 0.1361
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.2142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No