Crystallography Open Database

Information card for entry 7201727

7201726 << 7201727 >> 7201728

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Structure parameters

Formula	C48 H35 Cl3 N2
Calculated formula	C48 H35 Cl3 N2
Title of publication	The structural convergence of two aromatic inclusion host families
Authors of publication	Ashmore, Jason; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	1
Pages of publication	131
a	10.342 ± 0.004 Å
b	13.641 ± 0.006 Å
c	14.134 ± 0.006 Å
α	103.21 ± 0.03°
β	93.07 ± 0.02°
γ	103.41 ± 0.03°
Cell volume	1876.3 ± 1.4 Å³
Cell temperature	294 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 significantly intense reflections	0.06
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.68
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301863 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure.	7201727.cif
180348	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 7/20/17.	7201727.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201727.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201727.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7201727.cif