Information card for entry 7224476

Structure parameters

• Formula: C46 H54 O2
• Calculated formula: C46 H54 O2
• SMILES: c1c2oc3c(c2cc2c1ccc(c2)CCCCCCCCCC)cc1oc2cc4c(cc2c1c3)cc(cc4)CCCCCCCCCC
• Title of publication: High Performance Oxygen-bridged N-shaped Semiconductors with Stabilized Crystal Phase and Blue Luminescence
• Authors of publication: Mitsui, Chikahiko; Tanaka, Yuji; Tanaka, Shota; Yamagishi, Masakazu; Nakahara, Katsumasa; Yano, Masafumi; Sato, Hiroyasu; Yamano, Akihito; Matsui, Hiroyuki; Takeya, Jun; Okamoto, Toshihiro
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 41.774 ± 0.01 Å
• b: 7.4659 ± 0.0017 Å
• c: 5.9023 ± 0.0013 Å
• α: 90°
• β: 93.859 ± 0.007°
• γ: 90°
• Cell volume: 1836.6 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.4401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No