Information card for entry 7135361

Structure parameters

• Formula: C11 H15 N11 O4 S2
• Calculated formula: C11 H15 N11 O4 S2
• Title of publication: Catenated nitrogen-rich triazine-tetrazole molecules for advanced explosives and gas-generator applications.
• Authors of publication: Jujam, Manojkumar; Ghule, Vikas D.; Dharavath, Srinivas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 17
• Pages of publication: 4991 - 4995
• a: 5.12 ± 0.0006 Å
• b: 13.3302 ± 0.0016 Å
• c: 13.9482 ± 0.0017 Å
• α: 80.226 ± 0.004°
• β: 88.777 ± 0.004°
• γ: 80.059 ± 0.004°
• Cell volume: 924.04 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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 all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No