Information card for entry 7135513

Structure parameters

• Formula: C8 H6 N4 O4
• Calculated formula: C8 H6 N4 O4
• Title of publication: A bipyrrole scaffold as an emerging Frontier in robust design of high energy materials.
• Authors of publication: Shanmugapriya, V.; Panda, Pradeepta K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 6
• Pages of publication: 1936 - 1940
• a: 6.5856 ± 0.0007 Å
• b: 20.0958 ± 0.0019 Å
• c: 6.9138 ± 0.0007 Å
• α: 90°
• β: 96.051 ± 0.003°
• γ: 90°
• Cell volume: 909.89 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 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: 0.1108
• Residual factor for significantly intense reflections: 0.0992
• Weighted residual factors for significantly intense reflections: 0.3013
• Weighted residual factors for all reflections included in the refinement: 0.3079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No