Information card for entry 7226713

Structure parameters

• Formula: C45 H37 Cl3 Fe N2 O2
• Calculated formula: C45 H37 Cl3 Fe N2 O2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C(=O)[C@H]1[C@@H](CN([C@]21c1ccccc1N(C2=O)Cc1ccccc1)C)c1c2ccccc2cc2ccccc12.C(Cl)(Cl)Cl.[c]12([cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]8[cH]7[cH]6[cH]12)C(=O)[C@@H]1[C@H](CN([C@@]21c1ccccc1N(C2=O)Cc1ccccc1)C)c1c2ccccc2cc2ccccc12.C(Cl)(Cl)Cl
• Title of publication: Regioselective synthesis of spiroxindolopyrrolidine: A one step cycoladdition reaction twists inherent optical and fluorescence property of Ferrocene-Anthracene dyad
• Authors of publication: pasupathy, saravanan; Shanmugam, Sundaramoorthy; R, Raghunathan
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 30.641 ± 0.005 Å
• b: 11.325 ± 0.005 Å
• c: 24.008 ± 0.005 Å
• α: 90 ± 0.005°
• β: 115.764 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 7503 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No