Information card for entry 7248062

Structure parameters

• Formula: C35 H29 Br4 Cl3
• Calculated formula: C35 H29 Br4 Cl3
• Title of publication: Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton
• Authors of publication: Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 8
• Pages of publication: 1067 - 1070
• a: 18.7063 ± 0.0012 Å
• b: 7.1729 ± 0.0005 Å
• c: 25.574 ± 0.002 Å
• α: 90°
• β: 101.643 ± 0.007°
• γ: 90°
• Cell volume: 3360.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.115
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No