Information card for entry 7150821

Structure parameters

• Formula: C22 H30 Mg O10
• Calculated formula: C22 H30 Mg O10
• SMILES: CC1(C)C(=O)C2C=[O][Mg]3([OH2])(OC=2C(C)(C1=O)C)([OH2])OC1=C(C=[O]3)C(=O)C(C)(C)C(=O)C1(C)C
• Title of publication: Weak chemiluminescence emission during base induced rearrangement of G-factors
• Authors of publication: Bernat, Virginie; André, Chantal; André-Barrès, Christiane
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 454 - 457
• a: 8.279 ± 0.003 Å
• b: 8.724 ± 0.003 Å
• c: 9.245 ± 0.004 Å
• α: 97.164 ± 0.008°
• β: 94.153 ± 0.008°
• γ: 116.289 ± 0.008°
• Cell volume: 587.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1287
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No