Information card for entry 2218171

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dinitrophenyl)dehydroabietylamine
• Formula: C26 H33 N3 O4
• Calculated formula: C26 H33 N3 O4
• SMILES: c1(ccc(cc1N(=O)=O)N(=O)=O)NC[C@@]1(CCC[C@@]2(c3ccc(cc3CC[C@@H]12)C(C)C)C)C
• Title of publication: <i>N</i>-(2,4-Dinitrophenyl)dehydroabietylamine
• Authors of publication: Qiu, Fei; Hong, Min; Jiang, Dawei; Zhu, Jin; Huang, Lequn Lee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o889
• a: 14.119 ± 0.007 Å
• b: 23.574 ± 0.012 Å
• c: 7.309 ± 0.004 Å
• α: 90°
• β: 99.191 ± 0.009°
• γ: 90°
• Cell volume: 2402 ± 2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes