Information card for entry 7229605

Structure parameters

• Formula: C30 H44 I3 N5 O2.5
• Calculated formula: C30 H42 I3.002 N5 O2.5
• Title of publication: Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines
• Authors of publication: Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 84
• Pages of publication: 53278
• a: 14.1338 ± 0.0003 Å
• b: 30.1549 ± 0.0009 Å
• c: 18.5852 ± 0.0005 Å
• α: 90°
• β: 91.647 ± 0.002°
• γ: 90°
• Cell volume: 7917.8 ± 0.4 ų
• Cell temperature: 199.99 ± 0.1 K
• Ambient diffraction temperature: 199.99 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No