Information card for entry 4502944

Structure parameters

• Formula: C13 H16 N2 O2
• Calculated formula: C13 H16 N2 O2
• Title of publication: Planar Biphenyl-Bridged Biradicals as Building Blocks for the Design of Quantum Magnets
• Authors of publication: Mostovich, Evgeny A.; Borozdina, Yulia; Enkelmann, Volker; Remović-Langer, Katarina; Wolf, Bernd; Lang, Michael; Baumgarten, Martin
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 54
• a: 10.26101 ± 0.00005 Å
• b: 11.1001 ± 0.0005 Å
• c: 11.4935 ± 0.0005 Å
• α: 90°
• β: 112.864 ± 0.0013°
• γ: 90°
• Cell volume: 1206.23 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0618
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8569
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No