Information card for entry 7236274

Structure parameters

• Chemical name: Pararunine A
• Formula: C37 H52 O13
• Calculated formula: C37 H52 O13
• Title of publication: Sesquiterpenoids and monoterpenoid coumarins from Parasenecio rubescens
• Authors of publication: Jin, An; Wu, Wenming; Ruan, Hanli
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5167
• a: 12.2069 ± 0.0002 Å
• b: 14.3991 ± 0.0002 Å
• c: 22.218 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3905.22 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No