Crystallography Open Database

Information card for entry 7009184

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Structure parameters

Formula	C25 H27 N3 O
Calculated formula	C25 H27 N3 O
SMILES	n1ccccc1c1nc(ccc1)c1nc(ccc1)O[C@H]1C[C@H]2CC[C@@]1(C2(C)C)C
Title of publication	Regio- and diastereo-selective formation of dicopper(I) and disilver(I) double helicates with chiral 6-substituted 2,2'∶6',2″-terpyridines
Authors of publication	Baum, Gerhard; Constable, Edwin C.; Fenske, Dieter; Housecroft, Catherine E.; Kulke, Torsten; Neuburger, Markus; Zehnder, Margareta
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	6
Pages of publication	945
a	13.19 ± 0.002 Å
b	7.75 ± 0.001 Å
c	21.469 ± 0.001 Å
α	90°
β	105.39 ± 0.007°
γ	90°
Cell volume	2115.9 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.0652
Goodness-of-fit parameter for significantly intense reflections	0.758
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7009184.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009184.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009184.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009184.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009184.cif