Information card for entry 7111747

Structure parameters

• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: o1c(C)c(c(C)n1)Cc1ccc(Cc2c(C)onc2C)cc1
• Title of publication: Solid state interconversion of cages and coordination networks via conformational change of a semi-rigid ligand
• Authors of publication: Burrows, Andrew D.; Frost, Christopher G.; Mahon, Mary F.; Raithby, Paul R.; Richardson, Christopher; Stevenson, Anna J.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 28
• Pages of publication: 5064 - 5066
• a: 7.031 ± 0.0003 Å
• b: 14.233 ± 0.0006 Å
• c: 8.365 ± 0.0005 Å
• α: 90°
• β: 100.882 ± 0.002°
• γ: 90°
• Cell volume: 822.05 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1417
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1674
• 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