Information card for entry 7111293

Structure parameters

• Formula: C32 H23 F2 N O4
• Calculated formula: C32 H23 F2 N O4
• SMILES: Fc1ccc(cc1)[C@]1(OO)C(=C\2[C@H](c3ccc(F)cc3)c3c(C2=O)cccc3)\[C@H](O)c2ccccc12.N#CC.Fc1ccc(cc1)[C@@]1(OO)C(=C\2[C@@H](c3ccc(F)cc3)c3c(C2=O)cccc3)\[C@@H](O)c2ccccc12.N#CC
• Title of publication: Photochromism of the inclusion crystals of a new hydroperoxybiindenylidene
• Authors of publication: Tanaka, Koichi; Yamamoto, Yohei; Ohba, Shigeru
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 15
• Pages of publication: 1866
• a: 21.239 ± 0.001 Å
• b: 11.972 ± 0.001 Å
• c: 10.217 ± 0.001 Å
• α: 90°
• β: 92.746 ± 0.008°
• γ: 90°
• Cell volume: 2594.9 ± 0.4 ų
• Cell temperature: 297 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 significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No