Information card for entry 7240841

Structure parameters

• Formula: C17 H15 Cl2 N3 O6
• Calculated formula: C17 H15 Cl2 N3 O6
• SMILES: Clc1cc(nc2c1ccc1c(Cl)cc(nc21)C(=O)O)C(=O)O.O=CN(C)C.O
• 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: 7.1583 ± 0.0014 Å
• b: 8.352 ± 0.0017 Å
• c: 15.356 ± 0.003 Å
• α: 81.1 ± 0.03°
• β: 82.92 ± 0.03°
• γ: 78.62 ± 0.03°
• Cell volume: 885.1 ± 0.3 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: 0.0335
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7879 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No