Information card for entry 7213164

Structure parameters

• Formula: C18 H18 N2 O2 S2
• Calculated formula: C18 H18 N2 O2 S2
• Title of publication: Diazadithiafulvalenes as electron donor reagents
• Authors of publication: Koizumi, Toshio; Bashir, Nadeem; Kennedy, Alan R.; Murphy, John A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 1999
• Journal issue: 24
• Pages of publication: 3637
• a: 11.4859 ± 0.0008 Å
• b: 9.025 ± 0.001 Å
• c: 16.407 ± 0.001 Å
• α: 90°
• β: 96.647 ± 0.006°
• γ: 90°
• Cell volume: 1689.3 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1221
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.057
• Goodness-of-fit parameter for significantly intense reflections: 1.57
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No