Information card for entry 7240772

Structure parameters

• Formula: C14 H20 N O5 P
• Calculated formula: C14 H20 N O5 P
• SMILES: P(=O)(OCC)(OCC)C(=C)NC(=O)OCc1ccccc1
• Title of publication: A novel approach for obtaining α,β-diaminophosphonates bearing structurally diverse side chains and their interactions with transition metal ions studied by ITC
• Authors of publication: Lenartowicz, Paweł; Witkowska, Danuta; Żyszka-Haberecht, Beata; Dziuk, Błażej; Ejsmont, Krzysztof; Świątek-Kozłowska, Jolanta; Kafarski, Paweł
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 40
• Pages of publication: 24045 - 24056
• a: 10.7418 ± 0.0003 Å
• b: 10.043 ± 0.0002 Å
• c: 14.6765 ± 0.0004 Å
• α: 90°
• β: 104.329 ± 0.003°
• γ: 90°
• Cell volume: 1534.04 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No