Information card for entry 4115059

Structure parameters

• Formula: C27 H30 O2
• Calculated formula: C27 H30 O2
• SMILES: O=C(c1c2cc3c4c1CCCc1c(c(cc(c1CCC4)CCC3)CCC2)C=O)C
• Title of publication: An Alternative Synthetic Route of [35](1,2,3,4,5)Cyclophane, and Structural Properties of Multibridged [3n]Cyclophanes and Their Charge-Transfer Complexes in the Solid State1
• Authors of publication: Mikio Yasutake; Toru Koga; Youichi Sakamoto; Shingo Komatsu; Ming Zhou; Katsuya Sako; Hitoshi Tatemitsu; Satoru Onaka; Yoshio Aso; Shinobu Inoue; Teruo Shinmyozu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10136 - 10145
• a: 17.125 ± 0.003 Å
• b: 12.93 ± 0.01 Å
• c: 9.045 ± 0.002 Å
• α: 90°
• β: 97.96 ± 0.02°
• γ: 90°
• Cell volume: 1983.5 ± 1.6 ų
• Cell temperature: 288.2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No