Information card for entry 2241445

Structure parameters

• Chemical name: 7,8,9,10-Tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan
• Formula: C16 H14 O
• Calculated formula: C16 H14 O
• SMILES: c12oc3c(c2CCCC1)ccc1ccccc31
• Title of publication: Crystal structure of 7,8,9,10-tetrahydrobenzo[<i>b</i>]naphtho[2,1-<i>d</i>]furan
• Authors of publication: Wu, Zhongyuan; Reetz, Manfred T.; Harms, Klaus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 106 - 108
• a: 13.8369 ± 0.0009 Å
• b: 12.2202 ± 0.0008 Å
• c: 6.8468 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1157.72 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes