Information card for entry 7233436

Structure parameters

• Formula: C46 H30 N2
• Calculated formula: C46 H30 N2
• Title of publication: Excimer-emitting single molecules with stacked p-conjugated groups covalently linked at the 1,8-positions of naphthalene for highly efficient blue and green OLEDs
• Authors of publication: Jian-Yong Hu; Yong-Jin Pu; Yusuke Yamashita; Fumiya Satoh; So Kawata; Hiroshi Katagiri; Hisahiro Sasabe; Junji Kido
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 3871 - 3878
• a: 31.227 ± 0.007 Å
• b: 9.785 ± 0.002 Å
• c: 21.174 ± 0.005 Å
• α: 90°
• β: 109.053 ± 0.002°
• γ: 90°
• Cell volume: 6115 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• 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: 0.049
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No