Information card for entry 7057075

Structure parameters

• Formula: C39 H42
• Calculated formula: C39 H42
• Title of publication: Efficient synthesis of 5-oxatruxene and the unusual influence of oxygen heteroatom on its physico-chemical properties
• Authors of publication: Górski, Krzysztof; Mech-Piskorz, Justyna; Noworyta, Krzysztof; Leśniewska, Barbara; Pietraszkiewicz, Marek
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 8
• Pages of publication: 5844
• a: 14.1319 ± 0.0004 Å
• b: 12.1283 ± 0.0004 Å
• c: 52.278 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8960.2 ± 0.6 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 2
• 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: 0.0717
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1737
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No