Information card for entry 7249138

Structure parameters

• Formula: C32 H38 Cl2 O7
• Calculated formula: C32 H38 Cl2 O7
• Title of publication: Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule
• Authors of publication: Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 32
• Pages of publication: 4272 - 4277
• a: 9.71 ± 0.004 Å
• b: 13.163 ± 0.005 Å
• c: 13.202 ± 0.005 Å
• α: 111.592 ± 0.004°
• β: 103.293 ± 0.004°
• γ: 98.851 ± 0.004°
• Cell volume: 1473 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0758
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No