Information card for entry 7055351

Structure parameters

• Formula: C26 H26 N2 O2
• Calculated formula: C26 H26 N2 O2
• Title of publication: Influence of steric hindrance on the molecular packing and the anchoring of quinonoid zwitterions on gold surfaces
• Authors of publication: Yuan, Minghui; Tanabe, Iori; Bernard-Schaaf, Jean-Marie; Shi, Qin-Yin; Schlegel, Vicki; Schurhammer, Rachel; Dowben, Peter A.; Doudin, Bernard; Routaboul, Lucie; Braunstein, Pierre
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5782
• a: 8.318 ± 0.0003 Å
• b: 14.3938 ± 0.0005 Å
• c: 18.1616 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2174.45 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2579
• Weighted residual factors for all reflections included in the refinement: 0.2608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No