Information card for entry 1502949

Structure parameters

• Formula: C82 H111 F12 N5 O22 P2
• Calculated formula: C82 H111 F12 N5 O22 P2
• Title of publication: Novel anthracene-based cylindrical macrotricyclic polyether: powerful host for bispyridinium dications.
• Authors of publication: Su, Yong-Sheng; Chen, Chuan-Feng
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 1888 - 1891
• a: 28.597 ± 0.006 Å
• b: 10.465 ± 0.002 Å
• c: 29.068 ± 0.006 Å
• α: 90°
• β: 95.36 ± 0.03°
• γ: 90°
• Cell volume: 8661 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No