Information card for entry 7152319

Structure parameters

• Formula: C16 H12 O6
• Calculated formula: C16 H12 O6
• SMILES: O1C(=O)C(=C2[C@H]3[C@H]4O[C@H]5[C@@]12[C@@]12OC(=O)C(=C1[C@@H]3[C@@H]4O[C@@H]52)C)C
• Title of publication: Solar irradiation of the seed germination stimulant karrikinolide produces two novel head-to-head cage dimers
• Authors of publication: Scaffidi, Adrian; Waters, Mark T.; Skelton, Brian W.; Bond, Charles S.; Sobolev, Alexandre N.; Bythell-Douglas, Rohan; McKinley, Allan J.; Dixon, Kingsley W.; Ghisalberti, Emilio L.; Smith, Steven M.; Flematti, Gavin R.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4069
• a: 6.8238 ± 0.0002 Å
• b: 11.0492 ± 0.0003 Å
• c: 16.3885 ± 0.0004 Å
• α: 90°
• β: 100.76 ± 0.002°
• γ: 90°
• Cell volume: 1213.93 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.057
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No