Information card for entry 2004006

Structure parameters

• Chemical name: 1-Cyano-2-(2,3,6,7-tetramethoxy-10-diethylaminomethylphenanthr-9-yl)pyrrolidine
• Formula: C29 H37 N3 O4
• Calculated formula: C29 H37 N3 O4
• Title of publication: 2-(10-Diethylaminomethyl-2,3,6,7-tetramethoxy-9-phenanthrylmethyl)-1-pyrrolidinecarbonitrile
• Authors of publication: Kabaleeswaran, V.; Rajan, S. S.; Thiruvalluvar, A.; Parthasarathi, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2189 - 2192
• a: 12.563 ± 0.003 Å
• b: 14.083 ± 0.004 Å
• c: 15.308 ± 0.003 Å
• α: 90°
• β: 102.17 ± 0.02°
• γ: 90°
• Cell volume: 2647.5 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.072
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No