Information card for entry 7150380

Structure parameters

• Formula: C36 H46 N2 O12
• Calculated formula: C36 H46 N2 O12
• SMILES: O=C1OCCOCCOCCOC(=O)C(=Cc2ccc(cc2)N(C)C)C(=O)OCCOCCOCCOC(=O)C1=Cc1ccc(cc1)N(C)C
• Title of publication: C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.
• Authors of publication: Pasini, Dario; Righetti, Pier Paolo; Zema, Michele
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1764 - 1769
• a: 8.186 ± 0.005 Å
• b: 18.852 ± 0.016 Å
• c: 6.057 ± 0.015 Å
• α: 96.7 ± 0.2°
• β: 106.03 ± 0.11°
• γ: 80.81 ± 0.08°
• Cell volume: 884 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3122
• Residual factor for significantly intense reflections: 0.1514
• Weighted residual factors for significantly intense reflections: 0.3324
• Weighted residual factors for all reflections included in the refinement: 0.4208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No