Information card for entry 7115957

Structure parameters

• Formula: C56 H22 F20 N4 O S2
• Calculated formula: C56 H22 F20 N4 O 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: 17.201 ± 0.006 Å
• b: 15.424 ± 0.004 Å
• c: 19.135 ± 0.007 Å
• α: 90°
• β: 111.208 ± 0.005°
• γ: 90°
• Cell volume: 4733 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1507
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No