Information card for entry 7050086

Structure parameters

• Formula: C34 H48 O12
• Calculated formula: C34 H48 O12
• SMILES: C1COCCOCCOCCOCCOc2c(O1)ccc(/C=C/c1ccc3c(c1)OCCOCCOCCOCCOCCO3)c2
• 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: 42.7776 ± 0.0015 Å
• b: 9.0073 ± 0.0003 Å
• c: 8.6096 ± 0.0003 Å
• α: 90°
• β: 95.988 ± 0.002°
• γ: 90°
• Cell volume: 3299.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No