Information card for entry 2210968

Structure parameters

• Formula: C50 H36 O8
• Calculated formula: C50 H36 O8
• SMILES: O=Cc1c(OCC(=C(COc2ccc3c(c2C=O)cccc3)COc2ccc3c(c2C=O)cccc3)COc2ccc3c(c2C=O)cccc3)ccc2c1cccc2
• Title of publication: 2,2'-[2,3-Bis(1-formyl-2-naphthyloxymethyl)but-2-ene-1,4-diyldioxy]bis(naphthalene-1-carbaldehyde)
• Authors of publication: Ustabaş, Reşat; Çoruh, Ufuk; Er, Mustafa; Serbest, Kerim; Vázquez-López, Ezequiel M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5006 - o5007
• a: 7.598 ± 0.002 Å
• b: 19.448 ± 0.005 Å
• c: 12.541 ± 0.003 Å
• α: 90°
• β: 100.896 ± 0.006°
• γ: 90°
• Cell volume: 1819.7 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1877
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.762
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes