Information card for entry 1551601

Structure parameters

• Common name: ocpf
• Formula: C20 H18 O10
• Calculated formula: C20 H18 O10
• SMILES: c1c(c(cc2[o+]c3c(c(c12)c1c(cccc1)C(=O)[O-])cc(O)c(O)c3)O)O.O.O.O
• Title of publication: Crystal Structure of <i>o</i>-Carboxyphenylfluorone as a Multifunctional Dye
• Authors of publication: YAMAGUCHI, Takako; HOSHINO, Mitsuru; MIYACHI, Kanako; KAMINO, Shinichiro; NAKAHARA, Ryousuke; DOI, Mitsunobu; ASANO, Mamiko; MATSUMURA, Hitoshi; FUJITA, Yoshikazu
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2016
• Journal volume: 32
• Journal issue: 0
• Pages of publication: 9
• a: 8.7375 ± 0.0016 Å
• b: 9.3944 ± 0.0017 Å
• c: 11.712 ± 0.002 Å
• α: 107.747 ± 0.003°
• β: 93.435 ± 0.003°
• γ: 91.447 ± 0.003°
• Cell volume: 913 ± 0.3 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 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: 0.0842
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No