Crystallography Open Database

Information card for entry 7201419

7201418 << 7201419 >> 7201420

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Coordinates	7201419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H35 N5 O8
Calculated formula	C55 H35 N5 O8
Title of publication	Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline
Authors of publication	Singh, Devendra; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	12
Pages of publication	2688
a	7.5934 ± 0.0005 Å
b	9.385 ± 0.0007 Å
c	15.9125 ± 0.0011 Å
α	101.006 ± 0.004°
β	98.361 ± 0.004°
γ	95.64 ± 0.004°
Cell volume	1091.99 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0875
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1131
Weighted residual factors for all reflections included in the refinement	0.1321
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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