Information card for entry 7233824

Structure parameters

• Formula: C15 H16 N2 O2
• Calculated formula: C15 H16 N2 O2
• Title of publication: Interacting networks of purely organic spin-1/2 dimers
• Authors of publication: Yulia B. Borozdina; Evgeny Mostovich; Volker Enkelmann; Bernd Wolf; Pham T. Cong; Ulrich Tutsch; Michael Lang; Martin Baumgarten
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 6618 - 6629
• a: 8.1768 ± 0.0002 Å
• b: 19.0191 ± 0.0008 Å
• c: 8.6983 ± 0.0003 Å
• α: 90°
• β: 103.4 ± 0.002°
• γ: 90°
• Cell volume: 1315.89 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0724
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No