Information card for entry 4020559

Structure parameters

• Formula: C33 H31 N3 O4
• Calculated formula: C33 H31 N3 O4
• SMILES: [C@H]1(C[C@]2(c3ccccc3N[C@H]2N1C(c1ccccc1)(c1ccccc1)c1ccccc1)O)C(=O)NCC(=O)OC
• Title of publication: High Yielding Synthesis of 3a-Hydroxypyrrolo[2,3-b]indoline Dipeptide Methyl Esters: Synthons for Expedient Introduction of the Hydroxypyrroloindoline Moiety into Larger Peptide-Based Natural Products and for the Creation of Tryptathionine Bridges.
• Authors of publication: Jonathan P. May; Pierre Fournier; Jonathan Pellicelli; Brian O. Patrick; David M. Perrin
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8424 - 8430
• a: 8.3751 ± 0.0008 Å
• b: 17.175 ± 0.002 Å
• c: 10.4335 ± 0.0011 Å
• α: 90°
• β: 116.652 ± 0.004°
• γ: 90°
• Cell volume: 1341.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No