Information card for entry 1515240

Structure parameters

• Formula: C11 H23 Cl N6
• Calculated formula: C11 H23 Cl N6
• SMILES: CCCCNc1nc(NCCCC)[nH+]c(n1)N.[Cl-]
• Title of publication: Generation of 2D organic microsheets from protonated melamine derivatives: suppression of the self assembly of a particular dimension by introduction of alkyl chains
• Authors of publication: Xu, Jun; Wu, Guanglu; Wang, Zhiqiang; Zhang, Xi
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 11
• Pages of publication: 3227
• a: 4.4289 ± 0.0004 Å
• b: 9.6455 ± 0.0018 Å
• c: 17.6718 ± 0.0018 Å
• α: 101.395 ± 0.008°
• β: 95.279 ± 0.008°
• γ: 92.673 ± 0.007°
• Cell volume: 735.28 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No