Information card for entry 4515947

Structure parameters

• Formula: C31 H25 N O2
• Calculated formula: C31 H25 N O2
• SMILES: O=N(=O)c1c(/C=C/c2c3c(c(c4ccccc24)c2c(cc(cc2C)C)C)cccc3)cccc1
• Title of publication: Weak Donor-/Strong Acceptor-Linked Anthracenyl π-Conjugates as Solvato(fluoro)chromophore and AEEgens: Contrast between Nitro and Cyano Functionality.
• Authors of publication: Baig, Moghal Zubair Khalid; Prusti, Banchhanidhi; Roy, Durba; Sahu, Prabhat Kumar; Sarkar, Moloy; Sharma, Aayushi; Chakravarty, Manab
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 9114 - 9125
• a: 19.4514 ± 0.0014 Å
• b: 8.0224 ± 0.0006 Å
• c: 14.5787 ± 0.001 Å
• α: 90°
• β: 99.218 ± 0.006°
• γ: 90°
• Cell volume: 2245.6 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0566
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No