Information card for entry 1552565

Structure parameters

• Formula: C24 H26 N2 O4
• Calculated formula: C24 H26 N2 O4
• 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: 11.4081 ± 0.0012 Å
• b: 16.2769 ± 0.0016 Å
• c: 12.6451 ± 0.0018 Å
• α: 90°
• β: 116.589 ± 0.004°
• γ: 90°
• Cell volume: 2099.7 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.1453
• Weighted residual factors for significantly intense reflections: 0.3377
• Weighted residual factors for all reflections included in the refinement: 0.3547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.571
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No