Information card for entry 7246762

Structure parameters

• Formula: C17 H16 N2
• Calculated formula: C17 H16 N2
• Title of publication: Dipole-moment-induced supramolecular assembly of a donor-acceptor-type molecule on a metal surface and in a crystal.
• Authors of publication: Nakanishi, W.; Matsushita, Y.; Takeuchi, M.; Sagisaka, K.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 13702 - 13707
• a: 10.2581 ± 0.0009 Å
• b: 10.4004 ± 0.0009 Å
• c: 26.808 ± 0.002 Å
• α: 79.118 ± 0.002°
• β: 80.982 ± 0.002°
• γ: 89.642 ± 0.002°
• Cell volume: 2773.1 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No