Information card for entry 1506809

Structure parameters

• Formula: C18 H19 N4 O2
• Calculated formula: C18 H19 N4 O2
• SMILES: O=N1=C([N](=O)C(C1(C)C)(C)C)c1[nH]c2c(n1)cc1c(c2)cccc1
• Title of publication: An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond.
• Authors of publication: Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2004
• Journal volume: 108
• Journal issue: 20
• Pages of publication: 6144 - 6151
• a: 13.515 ± 0.003 Å
• b: 11.858 ± 0.003 Å
• c: 10.593 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1697.6 ± 0.7 ų
• Cell temperature: 297.2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No