Information card for entry 7238278

Structure parameters

• Chemical name: NAP-12 tetraacetyl 1,5-naphthalenediamine
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• Title of publication: Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates
• Authors of publication: Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3218
• a: 9.5245 ± 0.0006 Å
• b: 10.33 ± 0.0007 Å
• c: 8.7471 ± 0.0006 Å
• α: 90°
• β: 106.108 ± 0.004°
• γ: 90°
• Cell volume: 826.82 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No