Information card for entry 7018397

Structure parameters

• Formula: C19 H14 Cl Fe N O
• Calculated formula: C19 H14 Cl Fe N O
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C#CC(=O)Nc1ccc(Cl)cc1)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: One pot synthesis of maleimide and hydantoin by Fe(CO)(5) catalyzed [2 + 2 + 1] co-cyclization of acetylene, isocyanate and CO.
• Authors of publication: Mathur, Pradeep; Joshi, Raj Kumar; Rai, Dhirendra Kumar; Jha, Badrinath; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 5045 - 5054
• a: 12.2609 ± 0.0019 Å
• b: 10.4747 ± 0.001 Å
• c: 12.904 ± 0.003 Å
• α: 90°
• β: 112.35 ± 0.02°
• γ: 90°
• Cell volume: 1532.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0504
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No