Information card for entry 2219102

Structure parameters

• Chemical name: <i>N</i>-Phenyladamantane-1-sulfinamide
• Formula: C16 H21 N O S
• Calculated formula: C16 H21 N O S
• SMILES: C12(CC3CC(C1)CC(C3)C2)S(=O)Nc1ccccc1
• Title of publication: <i>N</i>-Phenyladamantane-1-sulfinamide
• Authors of publication: Datta, Mrityunjoy; Buglass, Alan J; Hong, Chang Seop; Lim, Jeon Hak
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1393
• a: 11.6614 ± 0.0002 Å
• b: 14.5582 ± 0.0003 Å
• c: 9.0632 ± 0.0002 Å
• α: 90°
• β: 109.777 ± 0.001°
• γ: 90°
• Cell volume: 1447.9 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes