Information card for entry 2225385

Structure parameters

• Common name: α-Costic anhydride
• Chemical name: 2-(4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-2-yl)acrylic acid anhydride
• Formula: C30 H42 O3
• Calculated formula: C30 H42 O3
• SMILES: C1=C([C@H]2[C@](CC1)(CC[C@H](C2)C(=C)C(=O)OC(=O)C(=C)[C@@H]1CC[C@@]2([C@@H](C1)C(=CCC2)C)C)C)C
• Title of publication: α-Costic anhydride
• Authors of publication: Tebbaa, Mohamed; Akssira, Mohamed; Elhakmaoui, Ahmed; El Ammari, Lahcen; Benharref, Ahmed; Berraho, Moha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o589 - o590
• a: 6.6699 ± 0.0002 Å
• b: 6.6335 ± 0.0002 Å
• c: 30.2948 ± 0.0008 Å
• α: 90°
• β: 92.799 ± 0.001°
• γ: 90°
• Cell volume: 1338.79 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes