Information card for entry 1573527

Structure parameters

• Formula: C16 H21 Cl2 O2 P S
• Calculated formula: C16 H21 Cl2 O2 P S
• SMILES: ClP(=O)(Cl)C12CC3C4C(C1)C1C(C2)C3CC(SC(=O)C)(C4)C1
• Title of publication: Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp³-carbon and gold nanolayers.
• Authors of publication: Bouzid, Moad; Poinsot, Didier; Mboyi, Clève D; Ochmann, Lukas; Domenichini, Bruno; Schreiner, Peter R.; Hierso, Jean-Cyrille
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 4123 - 4131
• a: 6.6911 ± 0.0002 Å
• b: 21.7491 ± 0.0008 Å
• c: 12.1069 ± 0.0005 Å
• α: 90°
• β: 103.068 ± 0.002°
• γ: 90°
• Cell volume: 1716.23 ± 0.11 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα~1~
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No