Information card for entry 2209711

Structure parameters

• Chemical name: 2',7'-Di-4-pyridylspiro[cyclopropane-1,9'-fluorene] hemihydrate
• Formula: C25 H19 N2 O0.5
• Calculated formula: C25 H19 N2 O0.5
• SMILES: O.n1ccc(c2cc3c(c4ccc(cc4C43CC4)c3ccncc3)cc2)cc1
• Title of publication: 2',7'-Di-4-pyridylspiro[cyclopropane-1,9'-fluorene] hemihydrate
• Authors of publication: Wang, Zi-Xing; Lin, Hai-Yao; Lu, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3013 - o3014
• a: 14.883 ± 0.003 Å
• b: 22.675 ± 0.005 Å
• c: 11.334 ± 0.002 Å
• α: 90°
• β: 105.817 ± 0.009°
• γ: 90°
• Cell volume: 3680.1 ± 1.3 ų
• Cell temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes