Information card for entry 7240844

Structure parameters

• Formula: C30 H20 Cl2 N4 O2
• Calculated formula: C30 H20 Cl2 N4 O2
• SMILES: Clc1cc(nc2c1ccc1c(Cl)cc(nc21)C(=O)N1CCc2ccccc12)C(=O)N1CCc2ccccc12
• Title of publication: The impact of alicyclic substituents on the extraction ability of new family of 1,10-phenanthroline-2,9-diamides
• Authors of publication: Lemport, Pavel S.; Matveev, Petr I.; Yatsenko, Alexander V.; Evsiunina, Mariia V.; Petrov, Valentine S.; Tarasevich, Boris N.; Roznyatovsky, Vitaly A.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Zhokhov, Sergey S.; Solov'ev, Vitaly P.; Aslanov, Leonid A.; Petrov, Vladimir G.; Kalmykov, Stepan N.; Nenajdenko, Valentine G.; Ustyniuk, Yuri A.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 44
• Pages of publication: 26022 - 26033
• a: 7.241 ± 0.0014 Å
• b: 11.68 ± 0.002 Å
• c: 14.506 ± 0.003 Å
• α: 103.259 ± 0.014°
• β: 95.03 ± 0.002°
• γ: 97.662 ± 0.018°
• Cell volume: 1174.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.79272 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No