Information card for entry 7125463

Structure parameters

• Formula: C41 H28 O4
• Calculated formula: C41 H28 O4
• Title of publication: Synthesis, structure and inclusion properties of 1,4,15,18-tetrahydro-1,4,15,18-tetraoxodibenzo[b,h]tetraphenylene†
• Authors of publication: Yang, Xiao-Ping; Du, Da-Ming; Li, Qi; Mak, Thomas C. W.; Wong, Henry N. C.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 16
• Pages of publication: 1607
• a: 15.359 ± 0.001 Å
• b: 19.181 ± 0.002 Å
• c: 10.616 ± 0.0008 Å
• α: 90°
• β: 101.12 ± 0.0005°
• γ: 90°
• Cell volume: 3068.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0928
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections: 0.2543
• Weighted residual factors for significantly intense reflections: 0.2289
• Goodness-of-fit parameter for all reflections: 0.924
• Goodness-of-fit parameter for significantly intense reflections: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No