Information card for entry 2009295

Structure parameters

• Chemical name: 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-4b,8,8,10a-tetramethyl- 1,2-phenanthrenedicarboxaldehyde
• Formula: C20 H30 O2
• Calculated formula: C20 H30 O2
• SMILES: O=C[C@H]1[C@@]2(CC[C@H]3C(CCC[C@@]3([C@H]2CC=C1C=O)C)(C)C)C
• Title of publication: <i>ent</i>-Isocopal-12-ene-15,16-dialdehyde from <i>Spongia officinalis</i>
• Authors of publication: Puliti, Raffaella; Mattia, Carlo Andrea
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 2160 - 2163
• a: 7.3308 ± 0.0012 Å
• b: 12.733 ± 0.003 Å
• c: 37.471 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3497.7 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0614
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No