Crystallography Open Database

Information card for entry 7051970

7051969 << 7051970 >> 7051971

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Structure parameters

Formula	C28 H26 N2 O8
Calculated formula	C27 H22 N2 O7
SMILES	O=C1C(=C\c2ccncc2)\CCC/C1=C\c1ccncc1.OC(=O)c1cc(cc(c1)C(=O)O)C(=O)O
Title of publication	Crystal engineering with acid and pyridine heteromeric synthon: neutral and ionic co-crystals
Authors of publication	Santra, Ramkinkar; Ghosh, Nayan; Biradha, Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	10
Pages of publication	1673
a	23.612 ± 0.002 Å
b	15.0618 ± 0.0012 Å
c	17.8456 ± 0.0015 Å
α	90°
β	128.492 ± 0.002°
γ	90°
Cell volume	4967.4 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1592
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1302
Weighted residual factors for all reflections included in the refinement	0.1565
Goodness-of-fit parameter for all reflections included in the refinement	0.942
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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