Information card for entry 4517430

Structure parameters

• Formula: C49 H30 N2 O
• Calculated formula: C49 H30 N2 O
• SMILES: O1c2c(C3(c4c1cccc4)c1cc(n4c5c(c6c4cccc6)cccc5)ccc1c1ccc(cc31)n1c3c(c4c1cccc4)cccc3)cccc2
• Title of publication: The Dimensionality Transition between Three-Dimensional and Two-Dimensional Organic Microcrystals: Specific Symmetry and Selective Adhesion.
• Authors of publication: Wang, Sha-Sha; Rong, Rong; Liu, Yi-Ran; Hu, Xiao; Zhang, He; Yu, Yang; Wei, Ying; Xie, Ling-Hai; Huang, Wei
• Journal of publication: ACS omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 7
• Pages of publication: 3749 - 3754
• a: 9.6783 ± 0.0009 Å
• b: 23.209 ± 0.002 Å
• c: 14.9411 ± 0.0014 Å
• α: 90°
• β: 95.11 ± 0.003°
• γ: 90°
• Cell volume: 3342.8 ± 0.5 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297.04 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1708
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No