Information card for entry 1504455

Structure parameters

• Common name: none
• Chemical name: (1R,2R,3R,8S,9S,10S)-3,7,10,14-tetramethyl-15,17-dioxapentacyclo [7.5.2.2^2,8^.0^2,6^.0^9,13^]octadeca-6,13-diene-16,18-dione
• Formula: C20 H24 O4
• Calculated formula: C20 H24 O4
• Title of publication: Parnapimarol and nepetaparnone from Nepeta parnassica.
• Authors of publication: Gkinis, Giorgos; Ioannou, Efstathia; Quesada, Antonio; Vagias, Constantinos; Tzakou, Olga; Roussis, Vassilios
• Journal of publication: Journal of natural products
• Year of publication: 2008
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 926 - 928
• a: 10.215 ± 0.004 Å
• b: 12.6695 ± 0.0012 Å
• c: 13.163 ± 0.002 Å
• α: 90°
• β: 102.65 ± 0.04°
• γ: 90°
• Cell volume: 1662.2 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0998
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No