Information card for entry 1520363

Structure parameters

• Formula: C15 H19 Cl N4 O7 Si
• Calculated formula: C15 H19 Cl N4 O7 Si
• SMILES: c1c(cc(c2[n+]1C[Si]1(C[n+]3cc(cc(c3O1)N(=O)=O)C)(C)O2)N(=O)=O)C.[Cl-].O
• Title of publication: C15H19ClN4O7Si
• Authors of publication: Taylor, P. G.; Callear, Samantha K.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 711
• a: 6.87 ± 0.0003 Å
• b: 23.3867 ± 0.0014 Å
• c: 24.351 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3912.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.194
• Residual factor for significantly intense reflections: 0.1744
• Weighted residual factors for significantly intense reflections: 0.3437
• Weighted residual factors for all reflections included in the refinement: 0.3534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No