Information card for entry 2023202

Structure parameters

• Common name: Staudtienic acid
• Chemical name: (1<i>S</i>,4a<i>S</i>,10a<i>R</i>)-1,4a-Dimethyl-7-(prop-2-en-1-yl)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-1-carboxylic acid
• Formula: C20 H26 O2
• Calculated formula: C20 H26 O2
• Title of publication: Crystal structure of Staudtienic acid, a diterpenoid from Staudtia kamerunensis Warb. (Myristicaceae)
• Authors of publication: Tonga Lembe, Jordan; Mphahlele, Precious Mokgadi; Kamdem Kengne, Michael Hermann; Jiyane, Pangaman; Djuidje Fotsing, Marthe Carine; Ardene, Charmaine; Mmutlane, Edwin Mpho; Ndinteh, Derek Tantoh
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 8
• a: 18.396 ± 0.003 Å
• b: 20.248 ± 0.004 Å
• c: 8.9338 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3327.7 ± 1 ų
• Cell temperature: 99.98 K
• Ambient diffraction temperature: 99.98 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: 0.1048
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No