Information card for entry 4115057

Structure parameters

• Formula: C24 H28
• Calculated formula: C24 H28
• SMILES: c1c2cc3c4c1CCCc1c(c(cc(CCC2)c1)CCC3)CCC4
• 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: 16.58 ± 0.02 Å
• b: 23.234 ± 0.006 Å
• c: 8.733 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3364 ± 4 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 2
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.465
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No