Information card for entry 1529086

Structure parameters

• Formula: C74 H72 N4
• Calculated formula: C74 H72 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: 5.8111 ± 0.0013 Å
• b: 17.553 ± 0.004 Å
• c: 28.328 ± 0.005 Å
• α: 82.08 ± 0.006°
• β: 89.417 ± 0.006°
• γ: 83.086 ± 0.006°
• Cell volume: 2841.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2375
• Weighted residual factors for all reflections included in the refinement: 0.2665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No