Information card for entry 4034980

Structure parameters

• Chemical name: spiro[fluorene-9,15'-indeno[2,1-g]chrysene]
• Formula: C37 H22
• Calculated formula: C37 H22
• SMILES: c12c(c3c4ccccc4ccc3c3ccccc13)C1(c3c2cccc3)c2ccccc2c2ccccc12
• Title of publication: Three-Dimensional Structures Based on the Fusion of Chrysene and Spirobifluorene Chromophores for the Development of Blue OLEDs.
• Authors of publication: Lee, Hayoon; Jung, Hyocheol; Kang, Seokwoo; Heo, Jin Hyuck; Im, Sang Hyuk; Park, Jongwook
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 5
• Pages of publication: 2640 - 2646
• a: 11.082 ± 0.004 Å
• b: 11.456 ± 0.004 Å
• c: 11.777 ± 0.004 Å
• α: 92.038 ± 0.019°
• β: 110.429 ± 0.019°
• γ: 118.082 ± 0.016°
• Cell volume: 1199.5 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No