Information card for entry 7711354

Structure parameters

• Formula: C29 H27 Cl2 N4 Zn
• Calculated formula: C29 H26 Cl2 N4 Zn
• SMILES: [Zn]12(Cl)(Cl)[n]3c(C[N]42C(N(CC4)Cc2c4c(cc5c2cccc5)cccc4)c2[n]1cccc2)cccc3
• Title of publication: Investigating the Photosensitivity of Koneramines for Cell Imaging and Therapeutic Applications
• Authors of publication: Ghosh, Suchismita; Akhir, Abdul; Saxena, Deepanshi; Singh, Sneha; Sri, Sivakumar; Chopra, Sidharth; Angamuthu, Raja
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 8.9812 ± 0.0009 Å
• b: 21.205 ± 0.003 Å
• c: 13.4228 ± 0.0015 Å
• α: 90°
• β: 93.512 ± 0.003°
• γ: 90°
• Cell volume: 2551.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No