Information card for entry 2311117

Structure parameters

• Chemical name: 9-[3-(Dimethylamino)propyl]-10,10-dimethyl-9,10-dihydroanthracen-9-ol
• Formula: C21 H27 N O
• Calculated formula: C21 H27 N O
• SMILES: OC1(c2ccccc2C(C)(C)c2ccccc12)CCCN(C)C
• Title of publication: 9-[3-(Dimethyl-amino)-prop-yl]-10,10-dimethyl-9,10-dihydro-anthracen-9-ol.
• Authors of publication: Kaur, Manpreet; Butcher, Ray J.; Akkurt, Mehmet; Yathirajan, H. S.; Nagaraj, B.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 2
• Pages of publication: o175
• a: 11.79596 ± 0.00009 Å
• b: 9.17559 ± 0.00007 Å
• c: 16.75788 ± 0.00013 Å
• α: 90°
• β: 92.2372 ± 0.0007°
• γ: 90°
• Cell volume: 1812.4 ± 0.02 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No