Crystallography Open Database

Information card for entry 2011964

2011963 << 2011964 >> 2011965

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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 Å³
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 F_obs	Yes

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