Information card for entry 7126615

Structure parameters

• Common name: L-Histidine
• Chemical name: L-Histidine
• Formula: C6 H9 N3 O2
• Calculated formula: C6 H9 N3 O2
• SMILES: c1(nc[nH]c1)C[C@H]([NH3+])C(=O)[O-]
• Title of publication: Formation of self-assembled supramolecular polymers by anti-electrostatic anion-anion and halogen bonding interactions.
• Authors of publication: Zapata, Fabiola; González, Lidia; Bastida, Adolfo; Bautista, Delia; Caballero, Antonio
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 52
• Pages of publication: 7084 - 7087
• a: 5.27 ± 0.05 Å
• b: 7.44 ± 0.05 Å
• c: 18.99 ± 0.08 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 745 ± 9 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 2 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: 0.2041
• Residual factor for significantly intense reflections: 0.1981
• Weighted residual factors for significantly intense reflections: 0.4176
• Weighted residual factors for all reflections included in the refinement: 0.4285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.539
• Diffraction radiation wavelength: 0.02508 Å
• Diffraction radiation type: electron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No