Information card for entry 2217147

Structure parameters

• Chemical name: Dipropyl 4,8-dioxo-1H,5H-2,6-dioxa-3a,4a,7a,8a- tetraazacyclopenta[def]fluorene-8b,8c-dicarboxylate
• Formula: C16 H22 N4 O8
• Calculated formula: C16 H22 N4 O8
• SMILES: CCCOC(=O)[C@]12N3COCN1C(=O)N1[C@@]2(C(=O)OCCC)N(C3=O)COC1
• Title of publication: Dipropyl 4,8-dioxo-1<i>H</i>,5<i>H</i>-2,6-dioxa-3a,4a,7a,8a-tetraazacyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate
• Authors of publication: Shuai Wang; Yan Hu; Meng Gao; Zi-Hua Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o265 - o265
• a: 8.6399 ± 0.0004 Å
• b: 13.401 ± 0.007 Å
• c: 16.0445 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1857.7 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes