Information card for entry 7251780

Structure parameters

• Chemical name: 4-Diamantyl-1-adamantanecarboxylate
• Formula: C25 H34 O2
• Calculated formula: C25 H34 O2
• Title of publication: Self-Assembly of Structurally Rigid Diamondoid Esters on a HOPG Surface
• Authors of publication: Burić, Nataša; González Ayani, Cosme; Vuletic, Tomislav; Sohora, Margareta; Stefanic, Zoran; Delač, Ida; Šekutor, Marina
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2026
• a: 6.5336 ± 0.0002 Å
• b: 6.5782 ± 0.0003 Å
• c: 13.1761 ± 0.0004 Å
• α: 81.856 ± 0.003°
• β: 81.082 ± 0.003°
• γ: 62.118 ± 0.004°
• Cell volume: 492.95 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No