Information card for entry 1507109

Structure parameters

• Formula: C14 H22 O4
• Calculated formula: C14 H22 O4
• SMILES: O=C1OCCCCCCCCCCOC(=O)C=C1
• Title of publication: Highly selective intra- and intermolecular coupling reactions of diazo compounds to form cis-alkenes using a ruthenium porphyrin catalyst.
• Authors of publication: Li, Gong-Yong; Che, Chi-Ming
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 1621 - 1623
• a: 5.3875 ± 0.0013 Å
• b: 10.514 ± 0.003 Å
• c: 13.349 ± 0.003 Å
• α: 78.065 ± 0.004°
• β: 83.763 ± 0.005°
• γ: 79.02 ± 0.004°
• Cell volume: 724.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1612
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No