Information card for entry 2313071

Structure parameters

• Common name: Mirogabalin
• Chemical name: 2-[(1<i>R</i>,5<i>S</i>,6<i>S</i>)-6-(Aminomethyl)-3-ethylbicyclo[3.2.0]hept-3-en-6-yl]acetic acid
• Formula: C12 H19 N O2
• Calculated formula: C12 H19 N O2
• Title of publication: Mirogabalin, C₁₂H₁₉NO₂, and mirogabalin besylate, C₁₂H₂₀NO₂⁺·C₆H₅O₃S<sup/>.
• Authors of publication: Salazar, Jacob K.; Kaduk, James A.; Dosen, Anja; Blanton, Thomas N.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2026
• Journal volume: 82
• Journal issue: 10
• a: 12.285 ± 0.0004 Å
• b: 6.01139 ± 0.0001 Å
• c: 17.6634 ± 0.0011 Å
• α: 90°
• β: 100.838 ± 0.002°
• γ: 90°
• Cell volume: 1281.17 ± 0.09 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Weighted residual factors for significantly intense reflections: 0.16493
• Goodness-of-fit parameter for all reflections: 3.641
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.46873 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No