Information card for entry 7112961

Structure parameters

• Common name: L1
• Formula: C28 H20 N2 O4
• Calculated formula: C28 H20 N2 O4
• SMILES: c1cc(C(=O)OCc2c3ccccc3c(COC(=O)c3ccncc3)c3ccccc23)ccn1
• Title of publication: Excimer formation in crystalline and nanostructured coordination polymers.
• Authors of publication: Chen, Jing; Neels, Antonia; Fromm, Katharina M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 8282 - 8284
• a: 4.0224 ± 0.0008 Å
• b: 19.576 ± 0.004 Å
• c: 13.525 ± 0.003 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 1062.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2098
• Residual factor for significantly intense reflections: 0.1732
• Weighted residual factors for significantly intense reflections: 0.3722
• Weighted residual factors for all reflections included in the refinement: 0.3933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.401
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No