Information card for entry 2009550

Structure parameters

• Formula: C16 H22 Cl N7 O6
• Calculated formula: C16 H22 Cl N7 O6
• SMILES: OC[C@H]([C@H]([C@H]([C@@H]1C[C@H](N2N1C(C)(C)c1c2c(Cl)nn2c1nnn2)C(=O)OC)O)O)O
• 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: 9.3226 ± 0.0006 Å
• b: 14.301 ± 0.001 Å
• c: 15.042 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2005.4 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 0.584
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No