Crystallography Open Database

Information card for entry 7209837

7209836 << 7209837 >> 7209838

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Coordinates	7209837.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H120 N2 O16
Calculated formula	C73 H120 N2 O16
Title of publication	Cocrystals of gabapentin with C-alkylresorcin[4]arenes
Authors of publication	Kumari, Harshita; Zhang, Jin; Erra, Loredana; Barbour, Leonard J.; Deakyne, Carol A.; Atwood, Jerry L.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	20
Pages of publication	4045
a	13.253 ± 0.013 Å
b	12.775 ± 0.012 Å
c	43.66 ± 0.04 Å
α	90°
β	93.319 ± 0.012°
γ	90°
Cell volume	7380 ± 12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1493
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.2262
Weighted residual factors for all reflections included in the refinement	0.2776
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180429 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/98.	7209837.cif
86109	2013-05-09	cif/ Adding structures of 7209837, 7209838 via cif-deposit CGI script.	7209837.cif