Information card for entry 1543258

Structure parameters

• Formula: C152 H152 Cl8 N8 O12
• Calculated formula: C152 H52 Cl8 N8 O12
• SMILES: ClCCl.ClCCl.ClCCl.ClCCl.O=C1N(c2ccc(C#Cc3c4cc5c(c3)C#Cc3ccc(N(C(=O)c6ccc(C(=O)N(c7ccc(C#Cc8c(C#Cc9ccc(N(C(=O)c%10ccc1cc%10)CCCC)cc9)cc(c(c8)C#Cc1ccc(N(CCCC)C(=O)c8ccc(cc8)C(=O)N(CCCC)c8ccc(cc8)C#C5)cc1)C#Cc1ccc(N(C(=O)c5ccc(C(=O)N(c8ccc(C#C4)cc8)CCCC)cc5)CCCC)cc1)cc7)CCCC)cc6)CCCC)cc3)cc2)CCCC.O=C(OCC)C.O=C(OCC)C
• Title of publication: Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation
• Authors of publication: Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 3240
• a: 9.397 ± 0.003 Å
• b: 41.912 ± 0.011 Å
• c: 37.099 ± 0.011 Å
• α: 90°
• β: 90.262 ± 0.003°
• γ: 90°
• Cell volume: 14611 ± 7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.4336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.997
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No