Information card for entry 7154749

Structure parameters

• Formula: C35 H31 Br N3 O6
• Calculated formula: C35 H26 Br N3 O8
• SMILES: Brc1ccc(n2c(c3ccccc3)c(nc2c2cc3n(c(c(c3C(=O)OC)C(=O)OC)C(=O)OC)cc2)c2ccccc2)cc1.O.O
• 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: 8.685 ± 0.003 Å
• b: 14.214 ± 0.004 Å
• c: 14.72 ± 0.004 Å
• α: 90.883 ± 0.004°
• β: 105.896 ± 0.004°
• γ: 100.876 ± 0.003°
• Cell volume: 1711.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.1213
• Weighted residual factors for significantly intense reflections: 0.3624
• Weighted residual factors for all reflections included in the refinement: 0.3775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No