Information card for entry 2011964

Structure parameters

• Common name: Rhodamine-6g
• Chemical name: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)- 2,7-dimethylxanthylium chloride monohydrate
• Formula: C28 H33 Cl N2 O4
• Calculated formula: C28 H31 Cl N2 O4
• Title of publication: Two rhodamine derivatives: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride monohydrate and 3,6-diamino-9-[2-(methoxycarbonyl)phenyl]xanthylium chloride trihydrate
• Authors of publication: Adhikasavalu, D. N.; Mastropaolo, Donald; Camerman, Arthur; Camerman, Norman
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 657 - 659
• a: 9.1947 ± 0.0013 Å
• b: 11.24 ± 0.003 Å
• c: 13.1995 ± 0.0013 Å
• α: 95.874 ± 0.013°
• β: 91.525 ± 0.01°
• γ: 102.63 ± 0.02°
• Cell volume: 1322.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes