Information card for entry 7050085

Structure parameters

• Formula: C18 H20 O4
• Calculated formula: C18 H20 O4
• SMILES: c1(c(cc(/C=C/c2ccc(c(c2)OC)OC)cc1)OC)OC
• Title of publication: Novel supramolecular charge-transfer systems based on bis(18-crown-6)stilbene and viologen analogues bearing two ammonioalkyl groups
• Authors of publication: Sergey P. Gromov; Artem I. Vedernikov; Evgeny N. Ushakov; Natalia A. Lobova; Asya A. Botsmanova; Lyudmila G. Kuz'mina; Andrei V. Churakov; Yuri A. Strelenko; Michael V. Alfimov; Judith A. K. Howard; Dan Johnels; Ulf G. Edlund
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 881
• a: 8.9484 ± 0.0005 Å
• b: 6.7152 ± 0.0003 Å
• c: 12.4323 ± 0.0007 Å
• α: 90°
• β: 92.5 ± 0.003°
• γ: 90°
• Cell volume: 746.35 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No