Information card for entry 2006644

Structure parameters

• Common name: 9,10-dihydrophenanthrene
• Formula: C23 H19 Cl O4
• Calculated formula: C23 H19 Cl O4
• SMILES: c1(C(=O)OC)c2c(c(cc1O)c1ccc(cc1)Cl)CCc1cc(OC)ccc21
• Title of publication: Unusual Substitution of -SCH~3~ by -OH in 9,10-Dihydrophenanthrene
• Authors of publication: Sarkhel, Sanjay; Goel, Atul; Ram, Vishnu J.; Chaudhuri, Siddhartha; Maulik, Prakas R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Pages of publication: 1713 - 1714
• a: 8.9047 ± 0.0007 Å
• b: 9.6102 ± 0.0013 Å
• c: 12.9962 ± 0.0015 Å
• α: 110.332 ± 0.012°
• β: 104.167 ± 0.008°
• γ: 97.458 ± 0.008°
• Cell volume: 982.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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 significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.2228
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No