Crystallography Open Database

Information card for entry 2107957

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Structure parameters

Formula	C30 H33 N3 O4
Calculated formula	C30 H33 N3 O4
SMILES	O1c2cc(NCC)c(cc2C2(N(C(=O)c3c2cccc3)CCCC(=O)O)c2cc(c(NCC)cc12)C)C
Title of publication	Two rhodamine 6G derivative compounds: a structural and fluorescence single-crystal study
Authors of publication	Di Paolo, Matias; Bossi, Mariano L.; Baggio, Ricardo; Suarez, Sebastián A.
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	5
Pages of publication	684 - 692
a	9.425 ± 0.0006 Å
b	11.6209 ± 0.0004 Å
c	12.608 ± 0.0005 Å
α	88.708 ± 0.003°
β	68.696 ± 0.005°
γ	86.313 ± 0.004°
Cell volume	1283.89 ± 0.11 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1033
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1712
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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