Information card for entry 1506077

Structure parameters

• Formula: C13 H15 N O4
• Calculated formula: C13 H15 N O4
• Title of publication: Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.
• Authors of publication: Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 12
• Pages of publication: 2619 - 2622
• a: 6.3417 ± 0.0001 Å
• b: 20.5313 ± 0.0003 Å
• c: 9.4744 ± 0.0002 Å
• α: 90°
• β: 96.329 ± 0.001°
• γ: 90°
• Cell volume: 1226.08 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No