Crystallography Open Database

Information card for entry 7201784

7201783 << 7201784 >> 7201785

Preview

Coordinates	7201784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 N O2
Calculated formula	C24 H27 N O2
SMILES	O=C([O-])C(c1ccccc1)(c1ccccc1)c1ccccc1.[NH3+]C(C)(C)C
Title of publication	Guest-induced topological polymorphism of pseudo-cubic hydrogen bond networks—robust and adaptable supramolecular synthon
Authors of publication	Yuge, Tetsuharu; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	3
Pages of publication	263
a	24.3976 ± 0.0004 Å
b	14.4444 ± 0.0003 Å
c	24.3798 ± 0.0004 Å
α	90°
β	94.7956 ± 0.0008°
γ	90°
Cell volume	8561.6 ± 0.3 Å³
Cell temperature	213.1 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 significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.2294
Goodness-of-fit parameter for all reflections included in the refinement	1.224
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7201784.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7201784.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7201784.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.	7201784.cif