Crystallography Open Database

Information card for entry 4502292

Preview

Coordinates	4502292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H19 N3 O6
Calculated formula	C26 H19 N3 O6
SMILES	c1c2C(=O)N(c3cc(cc(c3)C(=O)O)C(=O)O)C(=O)c2ccc1.n1ccccc1.n1ccccc1
Title of publication	Structural Studies on Solvates of Cyclic Imide Tethered Carboxylic Acids with Pyridine and Quinoline
Authors of publication	Singh, Devendra; Bhattacharyya, Pradip K.; Baruah, Jubaraj B.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	1
Pages of publication	348
a	23.7837 ± 0.0011 Å
b	12.7985 ± 0.0005 Å
c	3.8331 ± 0.0002 Å
α	90°
β	98.111 ± 0.004°
γ	90°
Cell volume	1155.11 ± 0.09 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0338
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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