Information card for entry 4303554

Structure parameters

• Common name: nicotinic acid tetraethylene glycol
• Formula: C20 H24 N2 O7
• Calculated formula: C20 H24 N2 O7
• SMILES: c1(cccnc1)C(=O)OCCOCCOCCOCCOC(=O)c1cccnc1
• Title of publication: Multitopic Ligand Design: A Concept for Single-Source Precursors
• Authors of publication: Fabienne Gschwind; Olha Sereda; Katharina M. Fromm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10535 - 10547
• a: 24.445 ± 0.005 Å
• b: 36.787 ± 0.007 Å
• c: 4.5773 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4116.2 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No