Information card for entry 7055601

Structure parameters

• Chemical name: 3-(4-(Dimethylamino)phenyl)spiro[fluorene-4,2?-[2H]indene]-1?,3?,9(3H)- trione
• Formula: C29 H21 N O3
• Calculated formula: C29 H21 N O3
• SMILES: O=C1C2(C(C=CC3=C2c2ccccc2C3=O)c2ccc(N(C)C)cc2)C(=O)c2ccccc12
• 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: 19.404 ± 0.005 Å
• b: 9.092 ± 0.002 Å
• c: 12.045 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2125 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No