Information card for entry 7229588

Structure parameters

• Formula: C18 H28 B2 N2 O7
• Calculated formula: C18 H28 B2 N2 O7
• Title of publication: Boric Acid Co-crystals in Guar Gelation
• Authors of publication: Perrin, Andrea; Goodwin, Melissa J.; Musa, Osama; Yufit, Dimitrii S.; Steed, Jonathan W.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 10.0731 ± 0.0004 Å
• b: 10.2343 ± 0.0004 Å
• c: 12.1312 ± 0.0005 Å
• α: 112.547 ± 0.001°
• β: 111.555 ± 0.001°
• γ: 94.539 ± 0.001°
• Cell volume: 1038.42 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0684
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No