Information card for entry 4020166

Structure parameters

• Formula: C15 H20 N4 O2 S
• Calculated formula: C15 H20 N4 O2 S
• Authors of publication: Dwight D. Kim; Suk Joong Lee; Peter Beak
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5376 - 5386
• a: 5.4049 ± 0.0019 Å
• b: 8.413 ± 0.003 Å
• c: 17.658 ± 0.006 Å
• α: 90°
• β: 92.23 ± 0.006°
• γ: 90°
• Cell volume: 802.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No