Information card for entry 7109428

Structure parameters

• Formula: C18 H18 O3
• Calculated formula: C18 H18 O3
• Title of publication: First asymmetric synthesis of planar chiral [2.2]metacyclophanes
• Authors of publication: Marco Blangetti; Helge Muller-Bunz; Donal F. O'Shea
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6125
• a: 13.4948 ± 0.0002 Å
• b: 14.0951 ± 0.0002 Å
• c: 7.53 ± 0.0001 Å
• α: 90°
• β: 96.909 ± 0.002°
• γ: 90°
• Cell volume: 1421.88 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No