Information card for entry 7227232

Structure parameters

• Formula: C14 H24 N4 O2
• Calculated formula: C14 H24 N4 O2
• SMILES: C1(=O)C(=C(C(=O)C(=C1N(C)C)N(C)C)N(C)C)N(C)C
• Title of publication: Electronic and crystal structures of 1,2,3-triazole-fused p-benzoquinone derivatives
• Authors of publication: Sato, M.; Takeda, T.; Hoshino, N.; Akutagawa, T.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 910
• a: 10.76606 ± 0.00019 Å
• b: 8.25767 ± 0.00015 Å
• c: 17.3938 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1546.35 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No