Information card for entry 4020121

Structure parameters

• Formula: C27 H27 N O4 S
• Calculated formula: C27 H27 N O4 S
• Authors of publication: Min-Ruei Tsai; Bo-Fong Chen; Chih-Ching Cheng; Nein-Chen Chang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 1780 - 1785
• a: 8.9309 ± 0.0008 Å
• b: 11.7081 ± 0.001 Å
• c: 11.941 ± 0.001 Å
• α: 78.59 ± 0.002°
• β: 73.669 ± 0.002°
• γ: 86.681 ± 0.002°
• Cell volume: 1174.54 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No