Information card for entry 7204777

Structure parameters

• Common name: none
• Chemical name: 3,3'-bis-(4-fluorophenyl)-3H,3'H-[2,2']biindenylidene-1,1'-dione cyclopentanone solvate (1:1)
• Formula: C35 H26 F2 O3
• Calculated formula: C35 H26 F2 O3
• SMILES: c1cccc2c1C(=O)/C(=C\1C(=O)c3ccccc3[C@@H]1c1ccc(cc1)F)[C@H]2c1ccc(cc1)F.O=C1CCCC1.c1cccc2c1C(=O)/C(=C\1C(=O)c3ccccc3[C@H]1c1ccc(cc1)F)[C@@H]2c1ccc(cc1)F.O=C1CCCC1
• 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: 8.7846 ± 0.0001 Å
• b: 12.3272 ± 0.0002 Å
• c: 13.4594 ± 0.0002 Å
• α: 70.08 ± 0.001°
• β: 76.153 ± 0.001°
• γ: 83.096 ± 0.001°
• Cell volume: 1329.29 ± 0.03 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No