Information card for entry 7223887

Structure parameters

• Formula: C32 H27 Fe N O2 S
• Calculated formula: C32 H27 Fe N O2 S
• SMILES: [Fe]12345678([c]9(c%10cccc(Sc%11ccc%12C(=O)N(C(=O)c%13cccc%11c%12%13)CCCC)c%10)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Heteroatom‒Connected Ferrocenyl Substituted Naphthalimides
• Authors of publication: Misra, Rajneesh; Reddy, T. Sheshashena; Maragani, Ramesh; Dhokale, Bhausaheb; Shaikh, Mobin M.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.1041 ± 0.0007 Å
• b: 14.5758 ± 0.001 Å
• c: 16.2867 ± 0.0009 Å
• α: 84.266 ± 0.005°
• β: 84.771 ± 0.004°
• γ: 67.853 ± 0.006°
• Cell volume: 2643.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No