Information card for entry 1511943

Structure parameters

• Formula: C207 H78 O12
• Calculated formula: C207 H70 O12
• Title of publication: Preparation of Tris(spiroorthocarbonate) Cyclophanes as Back to Back Ditopic Hosts
• Authors of publication: Danjo, Hiroshi; Iwaso, Kazuhisa; Kawahata, Masatoshi; Ohara, Kazuaki; Miyazawa, Toshifumi; Yamaguchi, Kentaro
• Journal of publication: Organic Letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 9
• Pages of publication: 2164
• a: 22.459 ± 0.003 Å
• b: 22.459 ± 0.003 Å
• c: 25.656 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12941 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No