Information card for entry 4508004

Structure parameters

• Common name: C5-120-beta-polymorph
• Chemical name: 1,5-Pentanedioic acid
• Formula: C5 H8 O4
• Calculated formula: C5 H8 O4
• Title of publication: Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series
• Authors of publication: Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3651
• a: 12.961 ± 0.002 Å
• b: 4.7227 ± 0.0008 Å
• c: 9.6498 ± 0.0018 Å
• α: 90°
• β: 98.41 ± 0.018°
• γ: 90°
• Cell volume: 584.32 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No