Information card for entry 7156415

Structure parameters

• Common name: C[4]pAP(iBt-mBzl-iBt-mBzl)
• Formula: C59 H63 Cl9 N4 O6
• Calculated formula: C59 H63 Cl9 N4 O6
• Title of publication: Cyclic arylopeptoid oligomers: synthesis and conformational propensities of peptide-mimetic aromatic macrocycles.
• Authors of publication: Hayakawa, Masahide; Ohsawa, Ayaka; Takeda, Kumi; Torii, Ryo; Kitamura, Yoshiaki; Katagiri, Hiroshi; Ikeda, Masato
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 8505 - 8512
• a: 40.5482 ± 0.0009 Å
• b: 5.749 ± 0.0001 Å
• c: 26.1364 ± 0.0007 Å
• α: 90°
• β: 105.526 ± 0.002°
• γ: 90°
• Cell volume: 5870.4 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0865
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No