Information card for entry 1572407

Structure parameters

• Formula: C31 H26 O5
• Calculated formula: C31 H26 O5
• Title of publication: Triptycene-like naphthopleiadene as a readily accessible scaffold for supramolecular and materials chemistry
• Authors of publication: Amin, Md Khairul; Ye, Chunchun; Pang, Shuhua; Liu, Yuancheng; Taylor, Dominic; Nichol, Gary S.; McKeown, Neil B.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.2376 ± 0.0007 Å
• b: 10.4837 ± 0.0006 Å
• c: 12.0766 ± 0.0007 Å
• α: 107.559 ± 0.003°
• β: 103.934 ± 0.003°
• γ: 103.55 ± 0.003°
• Cell volume: 1131.5 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0588
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No