Information card for entry 4512843

Structure parameters

• Formula: C48 H36 N2 O8
• Calculated formula: C48 H36 N2 O8
• Title of publication: Hirshfeld Surface Investigation of Structure-Directing Interactions within Dipicolinic Acid Derivatives.
• Authors of publication: Martin, Adam D.; Britton, Joshua; Easun, Timothy L.; Blake, Alexander J.; Lewis, William; Schröder, Martin
• Journal of publication: Crystal growth & design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 1697 - 1706
• a: 9.6784 ± 0.0006 Å
• b: 10.093 ± 0.0008 Å
• c: 19.071 ± 0.0019 Å
• α: 88.546 ± 0.007°
• β: 85.079 ± 0.007°
• γ: 82.955 ± 0.006°
• Cell volume: 1841.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.118
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No