Information card for entry 7058120

Structure parameters

• Formula: C96.15 H112 O8.46
• Calculated formula: C96.154 H111.984 O8.458
• Title of publication: Chiral chromane[4]arenes synthesised by cycloaddition reactions of o-quinomethine resorcin[4]arenes
• Authors of publication: Stefańska, Karolina; Szafraniec, Anna; Szymański, Marek P.; Wierzbicki, Michał; Szumna, Agnieszka; Iwanek, Waldemar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 6
• Pages of publication: 2687
• a: 14.892 ± 0.0003 Å
• b: 16.9372 ± 0.0004 Å
• c: 17.8109 ± 0.0004 Å
• α: 63.89 ± 0.002°
• β: 80.685 ± 0.002°
• γ: 89.895 ± 0.002°
• Cell volume: 3968.55 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1533
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No