Information card for entry 4037530

Structure parameters

• Formula: C39 H35 N3 O
• Calculated formula: C39 H35 N3 O
• SMILES: O(c1ccc(c2cc(c(c(N3CCCCC3)c2)C#N)/C=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)C
• Title of publication: White Light Induced E/Z-Photoisomerization of Diphenylamine-Tethered Fluorescent Stilbene Derivatives: Synthesis, Photophysical, and Electrochemical Investigation.
• Authors of publication: Mishra, Shachi; Awasthi, Pallavi; Singh, Jagriti; Gupta, Rahul Kumar; Singh, Vikram; Kant, Ruchir; Jeet, Ram; Goswami, Debabrata; Goel, Atul
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 7
• Pages of publication: 3669 - 3678
• a: 10.262 ± 0.004 Å
• b: 11.055 ± 0.004 Å
• c: 14.296 ± 0.005 Å
• α: 77.026 ± 0.012°
• β: 86.941 ± 0.015°
• γ: 88.442 ± 0.017°
• Cell volume: 1578 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1621
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No