Information card for entry 7153706

Structure parameters

• Formula: C23 H30 I N3 O4
• Calculated formula: C23 H30 I N3 O4
• SMILES: C1CCCC/C1=C\1C=C[C@H]([C@@H]1N(C(=O)OCC)NC(=O)OCC)Nc1ccccc1I.C1CCCC/C1=C\1C=C[C@@H]([C@H]1N(C(=O)OCC)NC(=O)OCC)Nc1ccccc1I
• Title of publication: Trapping the Lewis acid generated transient species from pentafulvene derived diazanorbornenes with ortho-functionalized aryl iodides and aliphatic alcohols.
• Authors of publication: Chand, S Sarath; Saranya, S; Preethanuj, P; Dhanya, B P; Jijy, E; Prakash, Praveen; Sasidhar, B S; Szymoniak, Jan; Santhini, P V; Radhakrishnan, K V
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 19
• Pages of publication: 3045 - 3061
• a: 10.7084 ± 0.0006 Å
• b: 11.0671 ± 0.0007 Å
• c: 12.0232 ± 0.0007 Å
• α: 78.662 ± 0.002°
• β: 84.243 ± 0.002°
• γ: 61.179 ± 0.002°
• Cell volume: 1223.99 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0668
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1599
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No