Information card for entry 7155447

Structure parameters

• Chemical name: 2,3-bis(5,8,11,14,17-pentamesitylhexabenzo[bc,ef,hi,kl,no,qr]coronen-2-yl)maleonitrile
• Formula: C204 H173.84 N9.95 O2.53
• Calculated formula: C204.002 H173.838 N9.946 O2.528
• Title of publication: Synthesis of bright red-emissive dicyanoetheno-bridged hexa-peri-hexabenzocoronene dimers.
• Authors of publication: Oda, Kazuma; Hiroto, Satoru; Hisaki, Ichiro; Shinokubo, Hiroshi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 1426 - 1434
• a: 19.0199 ± 0.0008 Å
• b: 19.4285 ± 0.0008 Å
• c: 23.4411 ± 0.0008 Å
• α: 100.927 ± 0.003°
• β: 104.663 ± 0.003°
• γ: 102.902 ± 0.004°
• Cell volume: 7885.4 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.1786
• Residual factor for significantly intense reflections: 0.1027
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.3482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No