Information card for entry 2013259

Structure parameters

• Common name: orthoboric acid
• Chemical name: boric acid
• Formula: B H3 O3
• Calculated formula: B H3 O3
• SMILES: B(O)(O)O
• Title of publication: A new polytype of orthoboric acid, H~3~BO~3~-3<i>T</i>
• Authors of publication: Shuvalov, Robert R.; Burns, Peter C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: i47 - i49
• a: 7.0453 ± 0.0004 Å
• b: 7.0453 ± 0.0004 Å
• c: 9.5608 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 410.98 ± 0.04 ų
• Cell temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes