Crystallography Open Database

Information card for entry 7205644

7205643 << 7205644 >> 7205645

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Structure parameters

Common name	2,5 lutidinium pamoate NMP solvate
Formula	C28 H24.5 N O7
Calculated formula	C28 H24.5 N O7
SMILES	O=C1N(CCC1)C.Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C(=O)O)C(=O)O
Title of publication	Solvate formation in lutidinium pamoate salts: a systematic study
Authors of publication	Wahl, Helene; Haynes, Delia A.; le Roex, Tanya
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	7
Pages of publication	2227
a	7.637 ± 0.0006 Å
b	10.423 ± 0.0008 Å
c	20.033 ± 0.0016 Å
α	89.292 ± 0.001°
β	85.445 ± 0.001°
γ	74.644 ± 0.001°
Cell volume	1532.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0499
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.131
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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