Information card for entry 1568910

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: 18.146 ± 0.004 Å
• b: 10.719 ± 0.002 Å
• c: 18.54 ± 0.004 Å
• α: 90°
• β: 94.9 ± 0.03°
• γ: 90°
• Cell volume: 3593 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1039
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No