Information card for entry 4020974

Structure parameters

• Formula: C16 H12 O S
• Calculated formula: C16 H12 O S
• SMILES: S(=O)(c1ccccc1)c1cc2c(cc1)cccc2
• Title of publication: Conformational Studies by Dynamic NMR. 99.^1^ Experimental and Computed Determination of Rotation Barriers in the Crystalline State: The Case of Naphthylphenylsulfoxide
• Authors of publication: Daniele Casarini; Lodovico Lunazzi; Andrea Mazzanti; Pierluigi Mercandelli; Angelo Sironi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 3574 - 3577
• a: 5.522 ± 0.007 Å
• b: 10.7 ± 0.009 Å
• c: 21.818 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1289 ± 2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No