Information card for entry 1576535

Structure parameters

• Formula: C29 H40 O14
• Calculated formula: C29 H40 O14
• Title of publication: A New Class of Customisable Stable Boronic Ester Assembly
• Authors of publication: Coomber, Daniel; Rusli, Olivia; Sharma, Hemant; Lee, Peter; Evans, Jack D.; Rijs, Nicole Joy; Hua, Carol; Pfeffer, Frederick Matthew
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 15.464 ± 0.003 Å
• b: 12.141 ± 0.002 Å
• c: 14.284 ± 0.003 Å
• α: 90°
• β: 92.34 ± 0.03°
• γ: 90°
• Cell volume: 2679.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0401
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.710754 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No