Information card for entry 1572405

Structure parameters

• Formula: C30 H16 D12 O6 S3
• Calculated formula: C30 H16 D12 O6 S3
• 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: 10.5199 ± 0.0002 Å
• b: 18.4144 ± 0.0003 Å
• c: 13.8648 ± 0.0003 Å
• α: 90°
• β: 98.763 ± 0.002°
• γ: 90°
• Cell volume: 2654.5 ± 0.09 ų
• Cell temperature: 120.01 ± 0.1 K
• Ambient diffraction temperature: 120.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No