Information card for entry 4033200

Structure parameters

• Formula: C120 H124 Cl44 N8 O8 Sb6
• Calculated formula: C120 H96 Cl44 N8 O8 Sb6
• Title of publication: Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.
• Authors of publication: Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13348 - 13358
• a: 25.919 ± 0.012 Å
• b: 25.919 ± 0.012 Å
• c: 11.739 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7886 ± 7 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 6
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No