Information card for entry 7247593

Structure parameters

• Formula: C26 H30 N2 O7
• Calculated formula: C26 H30 N2 O7
• Title of publication: Multiple intermolecular interactions in guest inclusion by acyclic host compounds
• Authors of publication: Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 44
• Pages of publication: 6137 - 6143
• a: 7.0766 ± 0.0014 Å
• b: 10.505 ± 0.002 Å
• c: 15.939 ± 0.003 Å
• α: 95.513 ± 0.006°
• β: 93.85 ± 0.006°
• γ: 100.486 ± 0.005°
• Cell volume: 1155.4 ± 0.4 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: 0.0389
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No