Information card for entry 7102959

Structure parameters

• Formula: C68 H66 Si2
• Calculated formula: C68 H66 Si2
• SMILES: C(C)(C)[Si](C(C)C)(C(C)C)C#Cc1cccc2[C@@H]3c4cccc5c4[C@H](c12)[C@@H]1c2c(C#Cc4cccc6cc7cccc(C#C5)c7cc46)cccc2[C@H]3c2cccc(c12)C#C[Si](C(C)C)(C(C)C)C(C)C.C(C)(C)[Si](C(C)C)(C(C)C)C#Cc1cccc2[C@H]3c4cccc5c4[C@@H](c12)[C@H]1c2c(C#Cc4cccc6cc7cccc(C#C5)c7cc46)cccc2[C@@H]3c2cccc(c12)C#C[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: Molecular folding screen: folding and unfolding of 1,8-anthrylene-ethynylene oligomers by photochemical cycloaddition and thermal cycloreversion.
• Authors of publication: Toyota, Shinji; Kuga, Makoto; Takatsu, Akiko; Goichi, Michio; Iwanaga, Tetsuo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 11
• Pages of publication: 1323 - 1325
• a: 22.625 ± 0.003 Å
• b: 9.6582 ± 0.0011 Å
• c: 24.852 ± 0.004 Å
• α: 90°
• β: 99.565 ± 0.006°
• γ: 90°
• Cell volume: 5355.2 ± 1.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No