Information card for entry 2006385

Structure parameters

• Chemical name: (-)-labda-8(17),13E-dien-15-oic
• Formula: C20 H32 O2
• Calculated formula: C20 H31.5 O2
• Title of publication: (13<i>E</i>)-({-})-Labda-8(17),13-dien-15-oic Acid
• Authors of publication: Reinaldo Atencio; Ricardo Gaitán; Sara Pekerar; José D. Medina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 1068 - 1070
• a: 24.967 ± 0.003 Å
• b: 6.075 ± 0.002 Å
• c: 13.232 ± 0.002 Å
• α: 90°
• β: 113.134 ± 0.011°
• γ: 90°
• Cell volume: 1845.6 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.163
• Weighted residual factors for significantly intense reflections: 0.1194
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No