Information card for entry 2313066

Structure parameters

• Chemical name: 3-Acetyl-11-keto-β-boswellic acid
• Formula: C32 H48 O5
• Calculated formula: C32 H48 O5
• Title of publication: Crystal structure and Hirshfeld surface analysis of 3-acetyl-11-keto-β-boswellic acid.
• Authors of publication: Dinesh, B.; Shafiulla, H. N.; Shwetha, J. C.; Udaya Kumar, A. H.; Lokanath, N. K.; Anand Solomon, K.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2026
• Journal volume: 82
• Journal issue: Pt 6
• Pages of publication: 738 - 742
• a: 11.8995 ± 0.0008 Å
• b: 16.346 ± 0.0009 Å
• c: 15.7065 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3055.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No