Information card for entry 2003048

Structure parameters

• Chemical name: 2,4,6-Triisopropyl-4'-(S)-phenylalaninocarbonylbenzophenone Methyl Ester
• Formula: C33 H39 N O4
• Calculated formula: C33 H39 N O4
• SMILES: O=C(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1ccc(cc1)C(=O)N[C@H](C(=O)OC)Cc1ccccc1
• Title of publication: Crystal-to-Crystal Diastereoselective Transformation of 2,4,6-Triisopropyl-4'-(<i>S</i>)-phenylalaninocarbonylbenzophenone Methyl Ester
• Authors of publication: Hosomi, H.; Ito, Y.; Ohba, S.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: 907 - 911
• a: 10.798 ± 0.003 Å
• b: 30.042 ± 0.003 Å
• c: 9.407 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3051.6 ± 1.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 1.34
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes