Information card for entry 7028834

Structure parameters

• Formula: C32 H26 N4 O4
• Calculated formula: C32 H26 N4 O4
• SMILES: c1(ccncc1)C#Cc1c2C(=O)N(C(=O)c2c(c2C(=O)N(C(=O)c12)[C@H](CC)C)C#Cc1ccncc1)[C@H](CC)C
• Title of publication: Molecular tectonics: homochiral coordination networks based on combinations of a chiral neutral tecton with Hg(II), Cu(II) or Ni(II) neutral complexes as metallatectons.
• Authors of publication: Larpent, Patrick; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 5
• Pages of publication: 2000 - 2006
• a: 5.1611 ± 0.0017 Å
• b: 21.52 ± 0.007 Å
• c: 12.209 ± 0.004 Å
• α: 90°
• β: 101.474 ± 0.006°
• γ: 90°
• Cell volume: 1328.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1813
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No