Information card for entry 2223678

Structure parameters

• Chemical name: Diallyl 5-[(4-hexyloxyphenyl)iminomethyl]-<i>m</i>-phenylene dicarbonate
• Formula: C27 H31 N O7
• Calculated formula: C27 H31 N O7
• SMILES: CCCCCCOc1ccc(cc1)/N=C/c1cc(OC(=O)OCC=C)cc(c1)OC(=O)OCC=C
• Title of publication: Diallyl 5-[(4-hexyloxyphenyl)iminomethyl]-<i>m</i>-phenylene dicarbonate
• Authors of publication: Herrera-González, Ana María; López-Velázquez, Delia; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2810 - o2811
• a: 8.6407 ± 0.0011 Å
• b: 10.9711 ± 0.0014 Å
• c: 15.014 ± 0.002 Å
• α: 102.756 ± 0.011°
• β: 103.368 ± 0.012°
• γ: 101.092 ± 0.012°
• Cell volume: 1305.4 ± 0.3 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.0921
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes