Information card for entry 2232821

Structure parameters

• Chemical name: (2<i>R</i>)-4-[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]-2-methylpiperazin-1-ium chloride
• Formula: C20 H23 Cl N2 O2
• Calculated formula: C20 H23 Cl N2 O2
• SMILES: O=C(OCC1c2ccccc2c2ccccc12)N1CC[NH2+][C@@H](C1)C.[Cl-]
• Title of publication: (2<i>R</i>)-4-[(9<i>H</i>-Fluoren-9-ylmethoxy)carbonyl]-2-methylpiperazin-1-ium chloride
• Authors of publication: Ertan, Anne; Sharma, Parhalad; Nagaraju, Dokka; Deepthi, K.; Manjunatha, Sulur G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3386 - o3387
• a: 8.3492 ± 0.0003 Å
• b: 7.4954 ± 0.0002 Å
• c: 14.9246 ± 0.0003 Å
• α: 90°
• β: 90.674 ± 0.0018°
• γ: 90°
• Cell volume: 933.93 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0454
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes