Information card for entry 2015425

Structure parameters

• Common name: triethylammonium guanosine cyclic 2',3'-phosphate monohydrate
• Chemical name: triethylammonium 4-(6-oxo-1,6-dihydropurin-7-yl)-6-hydroxymethyl-2-oxido-2- oxoperhydrofurano[3,4-c][1,3,2]dioxaphosphole monohydrate
• Formula: C16 H29 N6 O8 P
• Calculated formula: C16 H29 N6 O8 P
• Title of publication: Different nucleobase orientations in two cyclic 2',3'-phosphates of purine ribonucleosides: Et~3~NH(2',3'-cAMP) and Et~3~NH(2',3'-cGMP)·H~2~O
• Authors of publication: Krzysztof Sierosławski; Katarzyna Ślepokura; Tadeusz Lis; Małgorzata Bogucka; Joanna Lutomska; Adam Kraszewski
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o405 - o409
• a: 10.611 ± 0.003 Å
• b: 7.931 ± 0.003 Å
• c: 12.585 ± 0.003 Å
• α: 90°
• β: 96.89 ± 0.03°
• γ: 90°
• Cell volume: 1051.5 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes