Information card for entry 2013121

Structure parameters

• Common name: N^6^-furfuryladenine hydrochloride
• Chemical name: N^6^-furfuryladenin-3-ium chloride
• Formula: C10 H10 Cl N5 O
• Calculated formula: C10 H10 Cl N5 O
• SMILES: [Cl-].o1c(CNc2nc[nH+]c3nc[nH]c23)ccc1
• Title of publication: <i>N</i>^6^-Furfuryladenine (kinetin) hydrochloride
• Authors of publication: Stanley, Nithianantham; Muthiah, Packianathan Thomas; Geib, Steven J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o27 - o29
• a: 4.561 ± 0.0008 Å
• b: 8.898 ± 0.0017 Å
• c: 13.562 ± 0.003 Å
• α: 90°
• β: 92.138 ± 0.005°
• γ: 90°
• Cell volume: 550.01 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes