Information card for entry 2011605

Structure parameters

• Common name: (+)-Gibberellin C
• Chemical name: (+)-2β,4aα-dihydroxy-1,7-dimethyl-8-oxo-4bβ,7α-gibbane-1α,10β- dicarboxylic acid-1,4a-lactone
• Formula: C19 H26 O7
• Calculated formula: C19 H26 O7
• SMILES: O=C1[C@]2(CC[C@H]3[C@]45OC(=O)[C@]([C@@H](O)CC4)([C@H]5[C@@H]([C@]3(C1)C2)C(=O)O)C)C.O
• Title of publication: (+)-Gibberellin C: hydrogen-bonding pattern of the monohydrate of a non-racemic pentacyclic diterpenoid
• Authors of publication: Thompson, Hugh W.; Brunskill, Andrew P. J.; Lalancette, Roger A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1507 - 1509
• a: 9.73 ± 0.001 Å
• b: 10.661 ± 0.002 Å
• c: 17.898 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1856.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes