Information card for entry 7018396

Structure parameters

• Formula: C26 H32 Fe N2 O2
• Calculated formula: C26 H32 Fe N2 O2
• SMILES: [Fe]12345678([c]9(/C=C%10\N(C(=O)N(C%10=O)C%10CCCCC%10)C%10CCCCC%10)[cH]1[cH]2[cH]3[cH]49)[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: 10.7811 ± 0.0018 Å
• b: 12.91 ± 0.003 Å
• c: 18.481 ± 0.003 Å
• α: 73.53 ± 0.015°
• β: 73.835 ± 0.014°
• γ: 81.142 ± 0.016°
• Cell volume: 2361.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No