Information card for entry 4502030

Structure parameters

• Formula: C13 H21 O2
• Calculated formula: C13 H21 O2
• 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: 8.997 ± 0.004 Å
• b: 15.416 ± 0.005 Å
• c: 9.007 ± 0.003 Å
• α: 90°
• β: 102.86 ± 0.02°
• γ: 90°
• Cell volume: 1217.9 ± 0.8 ų
• Cell temperature: 294 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: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No