Information card for entry 1558660

Structure parameters

• Formula: C46 H32 N2 O2
• Calculated formula: C46 H32 N2 O2
• SMILES: O1c2c(cc(cc2)C#Cc2c3c(c(c4c2cccc4)C#Cc2cc4c(OCN(C4)c4ccccc4)cc2)cccc3)CN(C1)c1ccccc1
• Title of publication: Synthesis and Cross-Linking of a Benzoxazine-Containing Anthracene Moiety: Thermally Stable Photoluminescent Benzoxazine Resin
• Authors of publication: Goto, Masahide; Yajima, Tatsuo; Minami, Masaki; Sogawa, Hiromitsu; Sanda, Fumio
• Journal of publication: Macromolecules
• Year of publication: 2020
• a: 9.8823 ± 0.0015 Å
• b: 11.2269 ± 0.0015 Å
• c: 15.424 ± 0.002 Å
• α: 100.041 ± 0.007°
• β: 90.517 ± 0.006°
• γ: 102.779 ± 0.007°
• Cell volume: 1641.3 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1548
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No