Information card for entry 7213468

Structure parameters

• Formula: C16 H16 N2 O2 S2
• Calculated formula: C16 H16 N2 O2 S2
• Title of publication: Intra- and intermolecular interactions in substituted dithia[3.3]metacyclophanes
• Authors of publication: Moriguchi, Tetsuji; Sakata, Kazunori; Tsuge, Akihiko
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 6
• Pages of publication: 934
• a: 13.201 ± 0.002 Å
• b: 12.276 ± 0.002 Å
• c: 19.352 ± 0.001 Å
• α: 90°
• β: 107.004 ± 0.008°
• γ: 90°
• Cell volume: 2999 ± 0.7 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No