Information card for entry 8102347

Structure parameters

• Common name: HCarb · 12-crown-4
• Chemical name: Carbazole-1,4,7,10-tetraoxacyclododecane
• Formula: C20 H25 N O4
• Calculated formula: C20 H25 N O4
• SMILES: [nH]1c2c(cccc2)c2c1cccc2.O1CCOCCOCCOCC1
• Title of publication: Crystal structure of carbazole - 1,4,7,10-tetraoxacyclododecane, C12H9N · C8H16O4
• Authors of publication: Silke-Nicola Trzaska; Falk Olbrich
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 457
• a: 10.7838 ± 0.0005 Å
• b: 9.8043 ± 0.0005 Å
• c: 18.0332 ± 0.0009 Å
• α: 90°
• β: 106.534 ± 0.001°
• γ: 90°
• Cell volume: 1827.77 ± 0.16 ų
• Cell temperature: 153 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No