Information card for entry 4508915

Structure parameters

• Formula: C29 H28 Fe N7 O5 S
• Calculated formula: C29 H28 Fe N7 O5 S
• Title of publication: An Inorganic Thymidine Helix: Design of Homochiral Helical Arrays
• Authors of publication: Roth, Arne; Koth, Daniel; Gottschaldt, Michael; Plass, Winfried
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 12
• Pages of publication: 2655
• a: 10.0247 ± 0.0002 Å
• b: 10.0247 ± 0.0002 Å
• c: 29.1741 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2931.84 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No