Information card for entry 1551769

Structure parameters

• Formula: C31 H45 N3 O3
• Calculated formula: C31 H45 N3 O3
• SMILES: O1C(=O)C2=C(/C1=N/C1CCCCC1)O/C(=N\C1CCCCC1)C(=N\C1CCCCC1)/C12CCCCCC1
• Title of publication: Crystal Structure of 2,3,7-Tris(cyclohexylimino)-3,4-dihydro-4-spirocycloheptan-2H-furo[3,4-b]pyran-5(7H)-one
• Authors of publication: HABIBI, Azizollah; LORI, Enayatollah Sheikhhosseini
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 9
• a: 6.6634 ± 0.0003 Å
• b: 12.3296 ± 0.0006 Å
• c: 17.0338 ± 0.0008 Å
• α: 86.394 ± 0.001°
• β: 81.052 ± 0.001°
• γ: 85.002 ± 0.002°
• Cell volume: 1375.43 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No