Information card for entry 2017903

Structure parameters

• Chemical name: 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole
• Formula: C36 H24 N2 O2
• Calculated formula: C36 H24 N2 O2
• SMILES: o1c(nc(c1c1ccccc1)c1ccccc1)c1cccc(c1)c1oc(c(n1)c1ccccc1)c1ccccc1
• Title of publication: The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole
• Authors of publication: Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o623 - o626
• a: 7.1523 ± 0.0002 Å
• b: 20.0145 ± 0.0005 Å
• c: 36.8669 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5277.5 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.102
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes