Information card for entry 7115958

Structure parameters

• Formula: C56 H18 F20 N4 S2
• Calculated formula: C56 H18 F20 N4 S2
• Title of publication: Doubly N-confused isophlorin: synthesis, structure and copper coordination
• Authors of publication: Jiaying Yan; Makoto Takakusaki; Yufeng Yang; Shigeki Mori; Bao Zhang; Yaqing Feng; Masatoshi Ishida; Hiroyuki Furuta
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14593
• a: 11.9072 ± 0.0002 Å
• b: 25.4953 ± 0.0005 Å
• c: 24.165 ± 0.0004 Å
• α: 90°
• β: 99.372 ± 0.007°
• γ: 90°
• Cell volume: 7238 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No