Information card for entry 7135785

Structure parameters

• Formula: C11 H13 N5 O
• Calculated formula: C11 H13 N5 O
• Title of publication: Total synthesis of (±)-cyclopeltain B.
• Authors of publication: Mondal, Anup Kumar; Masal, Dattatraya P.; Reddy, D. Srinivasa
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 30
• Pages of publication: 7839 - 7842
• a: 5.329 ± 0.0002 Å
• b: 21.659 ± 0.001 Å
• c: 18.7684 ± 0.0009 Å
• α: 90°
• β: 92.958 ± 0.002°
• γ: 90°
• Cell volume: 2163.38 ± 0.17 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No