Information card for entry 2009551

Structure parameters

• Formula: C23 H21 Cl N8 O6
• Calculated formula: C23 H21 Cl N8 O6
• SMILES: Clc1nn2nnnc2c2c1N1N([C@H]([C@@H]([C@@H]1C(=O)OC)C(=O)OC)CN1C(=O)c3ccccc3C1=O)C2(C)C
• Title of publication: Two substituted pyrazolo[1',2':1,2]pyrazolo[4,3-<i>d</i>]tetrazolo[1,5-<i>b</i>]pyridazines
• Authors of publication: Golič, L.; Sinur, A.; Stanovnik, B.; Žličar, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 466 - 469
• a: 11.4371 ± 0.0008 Å
• b: 17.879 ± 0.001 Å
• c: 12.7762 ± 0.0009 Å
• α: 90°
• β: 109.406 ± 0.006°
• γ: 90°
• Cell volume: 2464.1 ± 0.3 ų
• Cell temperature: 293 ± 1 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 0.998
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No