Information card for entry 4115061

Structure parameters

• Formula: C28 H32 O2
• Calculated formula: C28 H32 O2
• SMILES: O=C(c1c2c3cc4c1CCCc1c(c(c(c(c1)CCC2)CCC3)C(=O)C)CCC4)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: 8.058 ± 0.003 Å
• b: 16.316 ± 0.006 Å
• c: 15.88 ± 0.03 Å
• α: 90°
• β: 97.632 ± 0.005°
• γ: 90°
• Cell volume: 2069 ± 4 ų
• Cell temperature: 288.2 K
• Number of distinct elements: 3
• 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: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.894
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No