Information card for entry 7002992

Structure parameters

• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: O=C(NO)c1c(=O)oc2c(c1)cc1c3N(CCCc23)CCC1
• Title of publication: Iron(iii) complexes of fluorescent hydroxamate ligands: preparation, properties, and cellular processing
• Authors of publication: Clarke, Antonia J.; Yamamoto, Natsuho; Jensen, Paul; Hambley, Trevor W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 48
• Pages of publication: 10787 - 10798
• a: 12.0319 ± 0.0004 Å
• b: 8.4492 ± 0.0003 Å
• c: 13.5644 ± 0.0005 Å
• α: 90°
• β: 105.452 ± 0.002°
• γ: 90°
• Cell volume: 1329.11 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No