Information card for entry 7249412

Structure parameters

• Formula: C12 H26 N8 O22
• Calculated formula: C12 H26 N8 O22
• Title of publication: Three peroxomorphic H2O2 adducts of antibiotic furacin: the first cases of 2D hydrogen-bonded peroxide layers and concerted flip-flop hydrogen disorder of peroxide species
• Authors of publication: Churakov, Andrei V.
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 42
• Pages of publication: 5996 - 6002
• a: 8.8432 ± 0.0003 Å
• b: 12.7456 ± 0.0005 Å
• c: 13.2427 ± 0.0005 Å
• α: 105.681 ± 0.0013°
• β: 108.501 ± 0.0013°
• γ: 103.703 ± 0.0014°
• Cell volume: 1274.85 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No