Information card for entry 7228476

Structure parameters

• Formula: C41 H45 Br4 O10
• Calculated formula: C41 H45 Br4 O10
• Title of publication: Endo-/Exo- and Halogen Bonded Complexes of Conformationally Rigid Cethyl-2-bromoresorcinarene and aromatic N-oxides
• Authors of publication: Puttreddy, Rakesh; Beyeh, Ngong Kodiah; Ras, Robin H.A.; Trant, John; Rissanen, Kari
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 16.2181 ± 0.0009 Å
• b: 16.1822 ± 0.0008 Å
• c: 7.9215 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2078.95 ± 0.19 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No