Information card for entry 2001349

Structure parameters

• Chemical name: (3R^*^,6S^*^)-3,6-Bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene
• Formula: C16 H32 O4
• Calculated formula: C16 H32 O4
• SMILES: COCO[C@H](C(C)(C)C)/C=C/[C@H](C(C)(C)C)OCOC
• Title of publication: Structure of (3<i>R</i>*,6<i>S</i>*)-3,6-bis(methoxymethoxy)-2,2,7,7-tetramethyl-4-octene
• Authors of publication: Nemoto, T.; Ohashi, Y.; Arai, M.; Nakamura, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 1801 - 1802
• a: 8.087 ± 0.003 Å
• b: 9.365 ± 0.001 Å
• c: 6.2 ± 0.001 Å
• α: 98.45 ± 0.01°
• β: 98.19 ± 0.03°
• γ: 99.75 ± 0.02°
• Cell volume: 451 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for significantly intense reflections: 3.01
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No