Information card for entry 2010361

Structure parameters

• Formula: C14 H15 N O2
• Calculated formula: C14 H15 N O2
• SMILES: CN(c1ccc2c(c1)oc(=O)c1c2CCC1)C
• Title of publication: 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
• Authors of publication: Jasinski, Jerry P.; Woudenberg, Richard C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Pages of publication: 107 - 109
• a: 21.937 ± 0.008 Å
• b: 15.327 ± 0.003 Å
• c: 6.924 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2328 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.054
• Duplicate of: 2002969
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No