Information card for entry 2019944

Structure parameters

• Common name: <i>L</i>-Argininium phosphite
• Chemical name: <i>L</i>-Argininium phosphite
• Formula: C6 H17 N4 O5 P
• Calculated formula: C6 H17 N4 O5 P
• SMILES: C(=O)([C@H](CCCNC(=[NH2+])N)[NH3+])[O-].OP(=O)[O-]
• Title of publication: <small>L</small>-Argininium phosphite ‒ a new candidate for NLO materials
• Authors of publication: Ghazaryan, Vahram V.; Zakharov, Boris A.; Petrosyan, Aram M.; Boldyreva, Elena V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 415 - 421
• a: 9.3993 ± 0.0003 Å
• b: 4.8638 ± 0.00013 Å
• c: 13.2395 ± 0.0004 Å
• α: 90°
• β: 105.249 ± 0.003°
• γ: 90°
• Cell volume: 583.95 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0363
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes