Information card for entry 4020359

Structure parameters

• Formula: C36 H40 N4 O7 S3
• Calculated formula: C36 H40 N4 O7 S3
• Authors of publication: Sven H. Hausner; Cynthia A. F. Striley; Jeanette A. Krause-Bauer; Hans Zimmer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5804 - 5817
• a: 11.6524 ± 0.0003 Å
• b: 12.5094 ± 0.0001 Å
• c: 14.5268 ± 0.0005 Å
• α: 80.161 ± 0.002°
• β: 73.563 ± 0.001°
• γ: 74.995 ± 0.002°
• Cell volume: 1950.78 ± 0.09 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2227
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No