Information card for entry 7050250

Structure parameters

• Common name: 2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)
• Chemical name: 2,3-bis-fluoren-9-ylidene-succinic acid acetone solvate (1:1)
• Formula: C33 H24 O5
• Calculated formula: C33 H24 O5
• SMILES: c1cccc2c3ccccc3C(c12)=C(C(=O)O)C(=C1c2ccccc2c2ccccc12)C(=O)O.C(=O)(C)C
• Title of publication: Conglomerate and racemate formation of 2,3-bisfluoren-9-ylidenesuccinic acid by inclusion complexation with achiral guest molecules
• Authors of publication: Tanaka, Koichi; Iwamoto, Toshimasa; Caira, Mino R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 329
• a: 9.9117 ± 0.0002 Å
• b: 14.1651 ± 0.0003 Å
• c: 18.1568 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2549.22 ± 0.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 3
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No