Information card for entry 7062577

Structure parameters

• Formula: C33 H24 N4
• Calculated formula: C33 H24 N4
• SMILES: n1c(cccc1)c1nc(c2ncccc2)cc(c1)c1ccc(N(c2ccccc2)c2ccccc2)cc1
• Title of publication: Distinct fluorescence state, mechanofluorochromism of terpyridine conjugated fluorophores and the reusable sensing of nitroaromatics in aqueous medium
• Authors of publication: Sivadas, Deepanjaly K.; Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 27
• Pages of publication: 12770 - 12778
• a: 9.115 ± 0.0018 Å
• b: 9.147 ± 0.0018 Å
• c: 29.34 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2446.2 ± 0.8 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 0.827
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No