Information card for entry 7217888

Structure parameters

• Formula: C19 H94 N O33.7
• Calculated formula: C19.128 H79.4232 N1.008 O33.6752
• Title of publication: Hydration structures of lactic acid: characterization of the ionic clathrate hydrate formed with a biological organic acid anion.
• Authors of publication: Muromachi, Sanehiro; Abe, Toru; Yamamoto, Yoshitaka; Takeya, Satoshi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 21467 - 21472
• a: 23.361 ± 0.002 Å
• b: 23.361 ± 0.002 Å
• c: 12.248 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6684.2 ± 1.4 ų
• Cell temperature: 100 ± 3 K
• Ambient diffraction temperature: 100 ± 3 K
• Number of distinct elements: 4
• Space group number: 81
• Hermann-Mauguin space group symbol: P -4
• Hall space group symbol: P -4
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.2231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No