Information card for entry 7213467

Structure parameters

• Formula: C16 H18 N2 S2
• Calculated formula: C16 H18 N2 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: 25.166 ± 0.008 Å
• b: 25.166 ± 0.008 Å
• c: 9.246 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5856 ± 5 ų
• Cell temperature: 93.2 K
• Ambient diffraction temperature: 93.2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No