Information card for entry 7107426

Structure parameters

• Formula: C99 H155 Cl6 F N6 O5
• Calculated formula: C99 H151 Cl6 F N6 O5
• Title of publication: A calix[2]phenol[2]pyrrole and a fused pyrrolidine-containing derivative
• Authors of publication: Kwan-Bok Jung; Sung Kuk Kim; Vincent M. Lynch; Dong-Gyu Cho; Jonathan L. Sessler
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 2495
• a: 29.8044 ± 0.0008 Å
• b: 10.38 ± 0.0005 Å
• c: 31.855 ± 0.002 Å
• α: 90°
• β: 95.29 ± 0.002°
• γ: 90°
• Cell volume: 9813 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1623
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2221
• Weighted residual factors for all reflections included in the refinement: 0.2553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.366
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No