Information card for entry 4505286

Structure parameters

• Formula: C14 H17 N4 O2
• Calculated formula: C14 H17 N4 O2
• SMILES: O=N1=C([N](=O)C(C1(C)C)(C)C)c1[nH]c2c(c1)cncc2
• Title of publication: Metamagnetic Behavior Observed in Purely Organic 5-Azaindol-2-yl Nitronyl Nitroxide Brick-Wall Architecture
• Authors of publication: Nagashima, Hideaki; Fujita, Shin'ya; Inoue, Hidenari; Yoshioka, Naoki
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 19
• a: 13.537 ± 0.003 Å
• b: 9.918 ± 0.001 Å
• c: 11.304 ± 0.002 Å
• α: 90°
• β: 109.31 ± 0.01°
• γ: 90°
• Cell volume: 1432.3 ± 0.4 ų
• Cell temperature: 297.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No