Information card for entry 7223201

Structure parameters

• Common name: xylene_pr_GCl
• Chemical name: p-xylene with 6-Chloro-9-propyl-purin-2-amine
• Formula: C24 H30 Cl2 N10
• Calculated formula: C24 H30 Cl2 N10
• Title of publication: Hydrogen-bonding networks of purine derivatives and their bilayers for guest intercalation
• Authors of publication: Jang, Yoona; Yoo, Seo Yeon; Gu, Hye Rin; Lee, Yu Jin; Cha, Young Shin; You, Laekyeong; Noh, Kyungkyou; Kim, Jaheon
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 62
• a: 15.022 ± 0.003 Å
• b: 44.14 ± 0.009 Å
• c: 15.211 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10086 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c a :2
• Hall space group symbol: -C 2a 2ac
• Residual factor for all reflections: 0.3296
• Residual factor for significantly intense reflections: 0.2602
• Weighted residual factors for significantly intense reflections: 0.5974
• Weighted residual factors for all reflections included in the refinement: 0.6304
• Goodness-of-fit parameter for all reflections included in the refinement: 2.24
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No