Information card for entry 4502031

Structure parameters

• Formula: C10 H20 O3
• Calculated formula: C10 H20 O3
• Title of publication: The Design of “Awkward” Molecules Expected to Yield Multiple Crystal Forms30†
• Authors of publication: Chan, Isa Y. H.; Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 10
• Pages of publication: 4582
• a: 6.1656 ± 0.0001 Å
• b: 11.3559 ± 0.0002 Å
• c: 15.7414 ± 0.0003 Å
• α: 90°
• β: 90.297 ± 0.001°
• γ: 90°
• Cell volume: 1102.13 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No