Information card for entry 7055602

Structure parameters

• Chemical name: 3-(4-(Diethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione
• Formula: C31 H25 N O3
• Calculated formula: C31 H25 N O3
• 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: 11.6979 ± 0.0004 Å
• b: 12.3967 ± 0.0004 Å
• c: 16.6477 ± 0.0006 Å
• α: 90°
• β: 96.137 ± 0.003°
• γ: 90°
• Cell volume: 2400.34 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.084
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No