Information card for entry 1520397

Structure parameters

• Formula: C16 H21 Cl N4 O7 Si
• Calculated formula: C16 H21 Cl N4 O7 Si
• SMILES: c1c(cc(c2[n]1C[Si]1(C)(C[n]3cc(cc(c3O1)N(=O)=O)C)O2)N(=O)=O)C.[Cl-].CO
• Title of publication: C16H21ClN4O7Si
• 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: 663
• a: 24.2668 ± 0.0009 Å
• b: 6.9038 ± 0.0002 Å
• c: 23.7477 ± 0.0009 Å
• α: 90°
• β: 93.232 ± 0.002°
• γ: 90°
• Cell volume: 3972.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No