Information card for entry 4115063

Structure parameters

• Formula: C27 H32
• Calculated formula: C27 H32
• SMILES: c1c2c3c4c5c1CCCc1c(c(c(c(CCC2)c1)CCC3)CCC4)CCC5
• 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: 12.878 ± 0.003 Å
• b: 9.258 ± 0.008 Å
• c: 31.25 ± 0.01 Å
• α: 90°
• β: 94.7 ± 0.02°
• γ: 90°
• Cell volume: 3713 ± 4 ų
• Cell temperature: 113.2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 3.46
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No