Information card for entry 7115903

Structure parameters

• Formula: C180.15 H167.6 B12 N4 O32
• Calculated formula: C180.15 H167.6 B12 N4 O32
• Title of publication: Procedure-dependent construction of two isomers of trimeric self-assembled boronic esters
• Authors of publication: Kosuke Ono; Ryo Aizawa; Taiki Yamano; Suguru Ito; Nobuhiro Yasuda; Kohei Johmoto; Hidehiro Uekusa; Nobuharu Iwasawa
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13683
• a: 25.7426 ± 0.0008 Å
• b: 21.2737 ± 0.0006 Å
• c: 42.0407 ± 0.0011 Å
• α: 90°
• β: 98.2499 ± 0.001°
• γ: 90°
• Cell volume: 22784.9 ± 1.1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.1756
• Residual factor for significantly intense reflections: 0.1104
• Weighted residual factors for significantly intense reflections: 0.2693
• Weighted residual factors for all reflections included in the refinement: 0.2986
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.78215 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No