Information card for entry 7204778

Structure parameters

• Common name: none
• Chemical name: 3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione dichloromethane solvate (1:1)
• Formula: C31 H20 Cl2 F2 O2
• Calculated formula: C31 H20 Cl2 F2 O2
• SMILES: c1cccc2c1C(=O)/C(=C/1[C@@H](c3ccccc3C1=O)c1ccc(cc1)F)[C@@H]2c1ccc(cc1)F.C(Cl)Cl.c1cccc2c1C(=O)/C(=C/1[C@H](c3ccccc3C1=O)c1ccc(cc1)F)[C@H]2c1ccc(cc1)F.C(Cl)Cl
• Title of publication: Guest-dependent photochromism of 3,3?-bis-(4-fluoro-phenyl)-3H,3?H- [2,2?]biindenylidene-1,1?-dione in its inclusion crystals
• Authors of publication: Tanaka, Koichi; Yamamoto, Yohei; Caira, Mino R.
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 1
• a: 9.0486 ± 0.0001 Å
• b: 19.3364 ± 0.0002 Å
• c: 14.4056 ± 0.0002 Å
• α: 90°
• β: 95.365 ± 0.001°
• γ: 90°
• Cell volume: 2509.47 ± 0.05 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.0741
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No