Information card for entry 4504482

Structure parameters

• Formula: C6 H10 Cl2 N2 O4
• Calculated formula: C6 H10 Cl2 N2 O4
• Title of publication: Crystal and Electronic Structures of Hydrogen-Bonded 2,5-Diamino-3,6-dihydroxy-p-benzoquinone
• Authors of publication: Akutagawa, Tomoyuki; Nakamura, Takayoshi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 70
• a: 4.5858 ± 0.0001 Å
• b: 6.5523 ± 0.0007 Å
• c: 8.5457 ± 0.0005 Å
• α: 98.236 ± 0.006°
• β: 104.958 ± 0.003°
• γ: 102.926 ± 0.005°
• Cell volume: 236.22 ± 0.03 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.552
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No