Information card for entry 4343192

Structure parameters

• Formula: C10 H11 Cl Hg N4 O7
• Calculated formula: C10 H11 Cl Hg N4 O7
• Title of publication: Regioselectivity of the C-metalation of 6-furylpurine: importance of directing effects.
• Authors of publication: Sinha, Indranil; Hepp, Alexander; Schirmer, Birgitta; Kösters, Jutta; Neugebauer, Johannes; Müller, Jens
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 4183 - 4185
• a: 7.9691 ± 0.0006 Å
• b: 8.4518 ± 0.0006 Å
• c: 11.3366 ± 0.0008 Å
• α: 110.039 ± 0.002°
• β: 96.654 ± 0.002°
• γ: 100.234 ± 0.002°
• Cell volume: 692.9 ± 0.09 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No