Information card for entry 7231449

Structure parameters

• Formula: C18 H11 N4 O
• Calculated formula: C18 H11 N4 O
• Title of publication: Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.
• Authors of publication: Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 35
• Pages of publication: 22902 - 22908
• a: 11.27 ± 0.0008 Å
• b: 16.9544 ± 0.0011 Å
• c: 3.7589 ± 0.0002 Å
• α: 90°
• β: 96.64 ± 0.002°
• γ: 90°
• Cell volume: 713.42 ± 0.08 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 4
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No