Information card for entry 4002955

Structure parameters

• Formula: C12 H11 N O4
• Calculated formula: C12 H11 N O4
• Title of publication: Molecular Orientation Change in Naphthalene Diimide Thin Films Induced by Removal of Thermally Cleavable Substituents
• Authors of publication: Nakamura, Tomoya; Shioya, Nobutaka; Shimoaka, Takafumi; Nishikubo, Ryosuke; Hasegawa, Takeshi; Saeki, Akinori; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1729
• a: 15.214 ± 0.004 Å
• b: 6.5316 ± 0.0018 Å
• c: 11.33 ± 0.003 Å
• α: 90°
• β: 96.646 ± 0.004°
• γ: 90°
• Cell volume: 1118.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0747
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No