Information card for entry 7135516

Structure parameters

• Formula: C10 H10 N4 O4
• Calculated formula: C10 H10 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: 20.286 ± 0.007 Å
• b: 8.192 ± 0.003 Å
• c: 13.64 ± 0.005 Å
• α: 90°
• β: 100.804 ± 0.014°
• γ: 90°
• Cell volume: 2226.6 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No