Information card for entry 7055603

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)-trione
• Formula: C28 H18 O4
• Calculated formula: C28 H18 O4
• SMILES: O=C1c2c(C3=C1C=CC(C13C(=O)c3ccccc3C1=O)c1ccc(OC)cc1)cccc2
• Title of publication: A new class of spirocyclic photochromes reacting with light of both UV and visible ranges
• Authors of publication: Bekere, Laura; Larina, Nina; Lokshin, Vladimir; Ellern, Arkady; Sigalov, Mark; Khodorkovsky, Vladimir
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 6554
• a: 17.42499 ± 0.00014 Å
• b: 13.44287 ± 0.0001 Å
• c: 18.57921 ± 0.00014 Å
• α: 90°
• β: 93.9206 ± 0.0007°
• γ: 90°
• Cell volume: 4341.84 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No