Information card for entry 1572404

Structure parameters

• Formula: C46 H26 Cl4 N4 O4
• Calculated formula: C46 H26 Cl4 N4 O4
• 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
• Journal volume: 15
• Journal issue: 36
• Pages of publication: 14968 - 14976
• a: 10.0081 ± 0.0003 Å
• b: 14.3562 ± 0.0005 Å
• c: 14.6779 ± 0.0004 Å
• α: 63.466 ± 0.003°
• β: 75.953 ± 0.002°
• γ: 81.918 ± 0.002°
• Cell volume: 1829.09 ± 0.11 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No