Information card for entry 4513123

Structure parameters

• Formula: C22 H23 N O4
• Calculated formula: C22 H23 N O4
• SMILES: c12c(c(c3ccccc3c1C(=O)OCC)NC(=O)OCCCC)cccc2
• 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: 8.3291 ± 0.0007 Å
• b: 9.2616 ± 0.0008 Å
• c: 24.507 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1890.5 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0507
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No