Information card for entry 2102628

Structure parameters

• Formula: C14 H14 N6 O8
• Calculated formula: C14 H14 N6 O8
• Title of publication: X-ray diffraction and packing analysis on vintage crystals: Wilhelm Koerner's nitrobenzene derivatives from the School of Agricultural Sciences in Milano
• Authors of publication: Demartin, Francesco; Filippini, Giuseppe; Gavezzotti, Angelo; Rizzato, Silvia
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 609 - 620
• a: 12.239 ± 0.002 Å
• b: 10.582 ± 0.002 Å
• c: 13.582 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.1193
• Weighted residual factors for significantly intense reflections: 0.1098
• Goodness-of-fit parameter for all reflections: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No