Information card for entry 7154748

Structure parameters

• Formula: C39 H35 N3 O6
• Calculated formula: C39 H35 N3 O6
• SMILES: O(CC)C(=O)c1n2ccc(c3n(c(c(n3)c3ccccc3)c3ccccc3)c3ccc(C)cc3)cc2c(c1C(=O)OCC)C(=O)OCC
• Title of publication: Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.
• Authors of publication: Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 48
• Pages of publication: 11674 - 11686
• a: 18.151 ± 0.004 Å
• b: 9.375 ± 0.002 Å
• c: 20.204 ± 0.004 Å
• α: 90°
• β: 95.666 ± 0.004°
• γ: 90°
• Cell volume: 3421.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No