Information card for entry 2218555

Structure parameters

• Formula: C15 H18 N4 O3
• Calculated formula: C15 H18 N4 O3
• SMILES: CC1=C[C@]23C[C@H]4C5=NNC(=O)[C@]5(C1)C[C@@H](C3=NNC2=O)C4.O.CC1=C[C@@]23C[C@@H]4C5=NNC(=O)[C@@]5(C1)C[C@H](C3=NNC2=O)C4.O
• Title of publication: 5,7,9,10-Tetrahydro-5β,10β-methano-3aα,8aα-methylpropenocycloocta[1,2-<i>c</i>:5,6-<i>c</i>']dipyrazole-3,8(2<i>H</i>,4<i>H</i>)-dione monohydrate
• Authors of publication: Djaidi, Djamal; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1055
• a: 6.478 ± 0.001 Å
• b: 8.157 ± 0.001 Å
• c: 14.812 ± 0.002 Å
• α: 85.412 ± 0.009°
• β: 88.369 ± 0.008°
• γ: 67.089 ± 0.011°
• Cell volume: 718.62 ± 0.18 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.64
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No