Information card for entry 1557572

Structure parameters

• Chemical name: exo,exo-7-oxa-5-norbornene-2,3-dicarboxylic acid
• Formula: C8 H8 O5
• Calculated formula: C8 H8 O5
• Title of publication: Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction
• Authors of publication: Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 3569 - 3573
• a: 9.2321 ± 0.0019 Å
• b: 18.768 ± 0.004 Å
• c: 18.876 ± 0.004 Å
• α: 90°
• β: 93.72 ± 0.03°
• γ: 90°
• Cell volume: 3263.7 ± 1.2 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 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
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No