Information card for entry 7216294

Structure parameters

• Formula: C18 H17 N O2.25
• Calculated formula: C18 H17 N O2.25
• SMILES: O.c1(c2ccccc2cc2ccccc12)C(=O)[O-].C(C=C)[NH3+]
• Title of publication: Engineering anthracene-based binary systems dedicated for reactions in non-solvent conditions
• Authors of publication: Szczȩsna, Beata; Urbanczyk-Lipkowska, Zofia
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 67
• Pages of publication: 385 - 387
• a: 19.075 ± 0.0018 Å
• b: 19.075 ± 0.0018 Å
• c: 8.537 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3106.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No