Information card for entry 7107474

Structure parameters

• Common name: o-LH2
• Formula: C8 H9 O2
• Calculated formula: C8 H9 O2
• Title of publication: A templating guest sorts out a molecular triangle from a dimer-trimer constitutional dynamic library
• Authors of publication: Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lidia Armelao
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3115
• a: 17.7839 ± 0.0013 Å
• b: 8.5189 ± 0.0003 Å
• c: 11.8682 ± 0.0008 Å
• α: 90°
• β: 124.449 ± 0.01°
• γ: 90°
• Cell volume: 1482.7 ± 0.2 ų
• Cell temperature: 298.3 K
• Ambient diffraction temperature: 298.3 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: 0.0582
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No