Information card for entry 7212970

Structure parameters

• Formula: C14 H17 N2 O3
• Calculated formula: C14 H17 N2 O3
• Title of publication: Synthesis, structure and properties of benzoic acids bearing para- or meta-imino nitroxides or ortho-nitronyl nitroxide radical centres
• Authors of publication: Stroh, Christophe; Romero, Francisco M.; Kyritsakas, Nathalie; Catala, Laure; Turek, Philippe; Ziessel, Raymond
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 1999
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 875
• a: 6.916 ± 0.002 Å
• b: 20.003 ± 0.006 Å
• c: 10.165 ± 0.003 Å
• α: 90°
• β: 106.68 ± 0.02°
• γ: 90°
• Cell volume: 1347.1 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.145
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections: 1.728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No