Information card for entry 7126492

Structure parameters

• Common name: dCN NDI
• Chemical name: dicyano naphthalene diimide
• Formula: C32 H8 N8 O8 S0
• Calculated formula: C32 H8 N8 O8
• Title of publication: Crystal structure and orientation of organic semiconductor thin films by microcrystal electron diffraction and grazing-incidence wide-angle X-ray scattering.
• Authors of publication: Levine, Andrew M.; Bu, Guanhong; Biswas, Sankarsan; Tsai, Esther H. R.; Braunschweig, Adam B.; Nannenga, Brent L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 30
• Pages of publication: 4204 - 4207
• a: 8.09 ± 0.002 Å
• b: 6.39 ± 0.002 Å
• c: 11.63 ± 0.002 Å
• α: 90 ± 0.03°
• β: 104.71 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 581.5 ± 0.3 ų
• Cell temperature: 77 K
• Ambient diffraction temperature: 77 K
• Number of distinct elements: 5
• 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: 0.169
• Residual factor for significantly intense reflections: 0.1376
• Weighted residual factors for significantly intense reflections: 0.3719
• Weighted residual factors for all reflections included in the refinement: 0.3919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No