Information card for entry 7106783

Structure parameters

• Formula: C28 H26 O2
• Calculated formula: C28 H26 O2
• SMILES: c1(cc(cc(c1)C)C)c1c(O)c(ccc1)c1c(O)c(ccc1)c1cc(cc(c1)C)C
• Title of publication: A guest-induced reversible switching of a self-assembled H-bonded supramolecular framework
• Authors of publication: Pierre Mobian; Clarisse Huguenard; Marc Henry
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 9630
• a: 7.4449 ± 0.001 Å
• b: 15.105 ± 0.002 Å
• c: 23.962 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2694.7 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1428
• Residual factor for significantly intense reflections: 0.0931
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No