Information card for entry 7157934

Structure parameters

• Formula: C40 H43 Cl N5 O6
• Calculated formula: C40 H43 Cl N5 O6
• Title of publication: Chemoselective synthesis of fully substituted pyrroles <i>via</i> a one-pot four-component isocyanide-based reaction.
• Authors of publication: Nazeri, Mohammad Taghi; Shaabani, Ahmad; Notash, Behrouz
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 3722 - 3734
• a: 12.135 ± 0.002 Å
• b: 13.466 ± 0.003 Å
• c: 13.797 ± 0.003 Å
• α: 105.34 ± 0.03°
• β: 97.89 ± 0.03°
• γ: 112.09 ± 0.03°
• Cell volume: 1942.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1532
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2467
• Weighted residual factors for all reflections included in the refinement: 0.2872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No