Information card for entry 4338038

Structure parameters

• Formula: C30 H29 N5 O4
• Calculated formula: C30 H29 N5 O4
• SMILES: c12ccc(c3cccc(c13)C(=O)N(C2=O)CC(=O)OCC)NCCN(Cc1ccccn1)Cc1ccccn1
• Title of publication: Fluorescent Rhenium-Naphthalimide Conjugates as Cellular Imaging Agents.
• Authors of publication: Langdon-Jones, Emily E; Symonds, Nadine O.; Yates, Sara E.; Hayes, Anthony J.; Lloyd, David; Williams, Rebecca; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3788
• a: 4.8867 ± 0.0002 Å
• b: 33.784 ± 0.002 Å
• c: 14.9055 ± 0.001 Å
• α: 90°
• β: 92.598 ± 0.002°
• γ: 90°
• Cell volume: 2458.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No