Information card for entry 7113838

Structure parameters

• Formula: C18 H14 N4 O2
• Calculated formula: C18 H14 N4 O2
• SMILES: c1cc(NC(=O)c2ccncc2)c(cc1)NC(=O)c1ccncc1
• Title of publication: Ring-opening polymerization of gold macrocycles and self-assembly of a coordination polymer through hydrogen-bonding
• Authors of publication: Burchell, Tara J.; Eisler, Dana J.; Jennings, Michael C.; Puddephatt, Richard J.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 17
• Pages of publication: 2228 - 2229
• a: 17.5572 ± 0.0007 Å
• b: 9.2062 ± 0.0004 Å
• c: 9.637 ± 0.0005 Å
• α: 90°
• β: 102.981 ± 0.002°
• γ: 90°
• Cell volume: 1517.87 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103881
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No