Information card for entry 1506893

Structure parameters

• Formula: C31 H29 N O7
• Calculated formula: C31 H29 N O7
• SMILES: O=Cc1cc(OCC)c(OCc2cc(c(OCc3cc(N(=O)=O)c(OCc4ccccc4)cc3)cc2)C)cc1
• Title of publication: Synthesis of ether oligomers.
• Authors of publication: Renaudet, Olivier; Reymond, Jean-Louis
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 397 - 400
• a: 9.5168 ± 0.0014 Å
• b: 10.0609 ± 0.0014 Å
• c: 14.103 ± 0.002 Å
• α: 77.431 ± 0.012°
• β: 77.178 ± 0.012°
• γ: 79.479 ± 0.012°
• Cell volume: 1272.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No