Information card for entry 1568909

Structure parameters

• Formula: C15 H24 N6 O3
• Calculated formula: C15 H24 N6 O3
• Title of publication: Rational design and topochemical synthesis of polymorphs of a polymer.
• Authors of publication: Athiyarath, Vignesh; Mathew, Liby Ann; Zhao, Yakai; Khazeber, Ravichandran; Ramamurty, Upadrasta; Sureshan, Kana M.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 19
• Pages of publication: 5132 - 5140
• a: 17.885 ± 0.005 Å
• b: 18.47 ± 0.005 Å
• c: 10.697 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3533.6 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2678
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.3016
• Weighted residual factors for all reflections included in the refinement: 0.4135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No