Information card for entry 4515945

Structure parameters

• Formula: C31 H25 N O2
• Calculated formula: C31 H25 N O2
• SMILES: O=N(=O)c1ccc(cc1)/C=C/c1c2c(c(c3c1cccc3)c1c(cc(cc1C)C)C)cccc2
• 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: 8.0332 ± 0.0019 Å
• b: 8.569 ± 0.002 Å
• c: 18.521 ± 0.003 Å
• α: 86.059 ± 0.018°
• β: 79.08 ± 0.018°
• γ: 63.59 ± 0.03°
• Cell volume: 1121 ± 0.5 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: 0.1321
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.2589
• Weighted residual factors for all reflections included in the refinement: 0.2802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No