Information card for entry 2237223

Structure parameters

• Chemical name: (<i>R</i>,<i>R</i>)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine
• Formula: C16 H19 N5 O7
• Calculated formula: C16 H19 N5 O7
• SMILES: N1([C@H](CCC1)[C@@H]1N(CCC1)C(=O)C)c1c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: (<i>R</i>,<i>R</i>)-1-Acetyl-1'-(2,4,6-trinitrophenyl)-2,2'-bipyrrolidine
• Authors of publication: Eichstaedt, Katarzyna; Olszewska, Teresa; Gdaniec, Maria
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o144 - o145
• a: 8.1989 ± 0.0005 Å
• b: 10.4442 ± 0.0006 Å
• c: 20.8877 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1788.63 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes