Information card for entry 1552564

Structure parameters

• Formula: C24 H26 N2 O5
• Calculated formula: C24 H26 N2 O5
• SMILES: O=C1N2[C@H](CC[C@@H]1NC(=O)Cc1ccccc1)[C@H](O)C[C@H]2C(=O)OCc1ccccc1
• Title of publication: Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth.
• Authors of publication: Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D.
• Journal of publication: Journal of medicinal chemistry
• Year of publication: 2019
• Journal volume: 62
• Journal issue: 9
• Pages of publication: 4500 - 4525
• a: 5.3744 ± 0.0004 Å
• b: 13.834 ± 0.001 Å
• c: 28.1059 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2089.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No