Information card for entry 4513127

Structure parameters

• Formula: C27 H25 N O4
• Calculated formula: C27 H25 N O4
• SMILES: c12c(c3c(c(c1cccc2)C(=O)OCc1ccccc1)cccc3)NC(=O)OC(C)(C)C
• Title of publication: Pairwise Packing of Anthracene Fluorophore: Hydrogen-Bonding-Assisted Dimer Emission in Solid State
• Authors of publication: Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2291
• a: 18.398 ± 0.0011 Å
• b: 13.5344 ± 0.0008 Å
• c: 18.976 ± 0.0011 Å
• α: 90°
• β: 108.007 ± 0.001°
• γ: 90°
• Cell volume: 4493.7 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0552
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No