Information card for entry 4060206

Structure parameters

• Formula: C33 H44 N6 O19 S4
• Calculated formula: C25 H20 N6 O15
• Title of publication: Design of a Synthetic Foldamer that Modifies the Growth of Calcite Crystals
• Authors of publication: Lara A. Estroff; Christopher D. Incarvito; Andrew D. Hamilton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2 - 3
• a: 13.6343 ± 0.0014 Å
• b: 14.1508 ± 0.0014 Å
• c: 23.889 ± 0.002 Å
• α: 86.844 ± 0.002°
• β: 82.792 ± 0.002°
• γ: 71.115 ± 0.002°
• Cell volume: 4325.9 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1871
• Residual factor for significantly intense reflections: 0.1289
• Weighted residual factors for significantly intense reflections: 0.3155
• Weighted residual factors for all reflections included in the refinement: 0.333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.479
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No