Information card for entry 2009714

Structure parameters

• Chemical name: Dimethyl (3,3,4,4,5,5-Hexamethylcyclopentanylidene)-1(E),2(E)-diacetate
• Formula: C17 H26 O4
• Calculated formula: C17 H26 O4
• SMILES: COC(=O)/C=C1\C(=C/C(=O)OC)\C(C(C1(C)C)(C)C)(C)C
• Title of publication: Dimethyl[3,3,4,4,5,5-hexamethyl-1(<i>E</i>),2(<i>E</i>)cyclopentandiylidene]diacetate, C~17~H~26~O~4~
• Authors of publication: Jerzykiewicz, Lucjan B.; Lis, Tadeusz; Baran, Janusz; Dziewońska-Baran, Danuta
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 729 - 732
• a: 7.655 ± 0.007 Å
• b: 11.436 ± 0.008 Å
• c: 19.541 ± 0.014 Å
• α: 90°
• β: 107.45 ± 0.07°
• γ: 90°
• Cell volume: 1632 ± 2 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No