Information card for entry 8101329

Structure parameters

• Common name: (1S)-Camphanic acid (2S,4S)-2-tert-butyl-4-methyl-1,3-dioxolan-4-ylmethyl ester
• Formula: C19 H30 O6
• Calculated formula: C19 H30 O6
• SMILES: O1[C@@]2(C([C@@](CC2)(C1=O)C)(C)C)C(=O)OC[C@]1(O[C@H](OC1)C(C)(C)C)C
• Title of publication: Crystal structure of (1'S)-camphanic acid (2S,4S)-2-tert-butyl-4-methyl- 1,3-dioxolan-4-ylmethyl ester, C~19~H~30~O~6~
• Authors of publication: Wattenbach, Carsten; Sippel, Heike; Müller, Ulrich; Frauenrath, Herbert
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 509 - 510
• a: 6.241 ± 0.001 Å
• b: 10.588 ± 0.001 Å
• c: 14.697 ± 0.001 Å
• α: 90°
• β: 93.95 ± 0.01°
• γ: 90°
• Cell volume: 968.9 ± 0.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No