Information card for entry 7125654

Structure parameters

• Formula: C92 H128 F6 N O12 P
• Calculated formula: C92 H128 F6 N O12 P
• Title of publication: A 2,3-dialkoxynaphthalene-based naphthocage.
• Authors of publication: Lu, Song-Bo; Chai, Hongxin; Ward, Jas S.; Quan, Mao; Zhang, Jin; Rissanen, Kari; Luo, Ray; Yang, Liu-Pan; Jiang, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 888 - 891
• a: 15.7124 ± 0.0006 Å
• b: 35.8329 ± 0.0017 Å
• c: 16.5563 ± 0.0007 Å
• α: 90°
• β: 90.796 ± 0.004°
• γ: 90°
• Cell volume: 9320.6 ± 0.7 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2178
• Residual factor for significantly intense reflections: 0.176
• Weighted residual factors for significantly intense reflections: 0.4702
• Weighted residual factors for all reflections included in the refinement: 0.4931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.673
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No