Information card for entry 4515946

Structure parameters

• Formula: C32 H25 N
• Calculated formula: C32 H25 N
• SMILES: c12c(c(c3c(c1/C=C/c1ccc(C#N)cc1)cccc3)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: 8.5961 ± 0.0001 Å
• b: 11.2877 ± 0.0002 Å
• c: 12.684 ± 0.0002 Å
• α: 110.581 ± 0.001°
• β: 95.048 ± 0.001°
• γ: 95.743 ± 0.001°
• Cell volume: 1136.33 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No