Information card for entry 1506894

Structure parameters

• Formula: C30 H27 N O8
• Calculated formula: C30 H27 N O8
• SMILES: O=Cc1cc(OCc2c(N(=O)=O)ccc(OCc3cc(OCc4ccccc4)c(OC)cc3)c2)c(OC)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: 8.7426 ± 0.0008 Å
• b: 10.6484 ± 0.0009 Å
• c: 14.4952 ± 0.0013 Å
• α: 96.122 ± 0.007°
• β: 99.555 ± 0.007°
• γ: 104.529 ± 0.007°
• Cell volume: 1272.5 ± 0.2 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: 0.0449
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No