Information card for entry 4516914

Structure parameters

• Chemical name: Bis(phenylmethyl) 2,8-Dinitro-1,5-naphthalenediylcarbamate THF solvate
• Formula: C30 H28 N4 O9
• Calculated formula: C30 H28 N4 O9
• Title of publication: Synthesis of Salts of 1,2,5,6- and 1,4,5,8-Naphthalenetetramine.
• Authors of publication: Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 9
• Pages of publication: 6023 - 6030
• a: 16.095 ± 0.004 Å
• b: 21.593 ± 0.005 Å
• c: 8.257 ± 0.002 Å
• α: 90°
• β: 101.741 ± 0.011°
• γ: 90°
• Cell volume: 2809.6 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1921
• Residual factor for significantly intense reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.2271
• Weighted residual factors for all reflections included in the refinement: 0.2893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No