Information card for entry 7110905

Structure parameters

• Formula: C27 H20 N2 O2
• Calculated formula: C27 H20 N2 O2
• SMILES: O1C(C(C(C1=O)=C(C1CC1)C1CC1)=C(c1ccccc1)c1ccccc1)=C(C#N)C#N
• Title of publication: Tribochromic compounds, exemplified by 3-dicyclopropylmethylene-5-dicyanomethylene-4-diphenylmethylenetetrahydrofuran-2-one
• Authors of publication: Asiri, Abdullah M. A.; Heller, Harry G.; Hursthouse, Michael B.; Karalulov, Alexander
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 799
• a: 20.349 ± 0.002 Å
• b: 10.095 ± 0.002 Å
• c: 21.338 ± 0.002 Å
• α: 90°
• β: 99.06 ± 0.02°
• γ: 90°
• Cell volume: 4328.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1359
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.2435
• Weighted residual factors for significantly intense reflections: 0.1743
• Goodness-of-fit parameter for all reflections: 0.573
• Goodness-of-fit parameter for significantly intense reflections: 0.73
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No