Information card for entry 4113084

Structure parameters

• Formula: C34 H36 O8
• Calculated formula: C34 H36 O8
• SMILES: c1c2cc(cc1OCc1cc3cc(c1)OCCC=CCCOc1cc(cc(c1)OCCC=CCCO3)CO2)C(=O)OC
• Title of publication: On the Nature of Dendrimer Cross-Linking by Ring-Closing Metathesis
• Authors of publication: James B. Beil; N. Gabriel Lemcoff; Steven C. Zimmerman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13576 - 13577
• a: 8.557 ± 0.0017 Å
• b: 13.017 ± 0.003 Å
• c: 14.182 ± 0.003 Å
• α: 95.851 ± 0.004°
• β: 94.257 ± 0.004°
• γ: 103.649 ± 0.004°
• Cell volume: 1519.2 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1061
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No