Information card for entry 7103110

Structure parameters

• Formula: C69 H105 Ga N2 O7
• Calculated formula: C69 H105 Ga N2 O7
• SMILES: [Ga]12(Oc3cccc4c3[n]1c(cc4)C)(Oc1cccc3c1[n]2c(cc3)C)OC(=O)c1cc(OCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCC)c(OCCCCCCCCCCCCCC)c1
• Title of publication: A "jellyfish" shaped green emitting gallium(III)-containing metallomesogen.
• Authors of publication: Pucci, Daniela; Aiello, Iolinda; Bellusci, Anna; Crispini, Alessandra; De Franco, Irene; Ghedini, Mauro; La Deda, Massimo
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2254 - 2256
• a: 11.6814 ± 0.0007 Å
• b: 12.7385 ± 0.0008 Å
• c: 44.889 ± 0.002 Å
• α: 90°
• β: 94.647 ± 0.002°
• γ: 90°
• Cell volume: 6657.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No