Crystallography Open Database

Information card for entry 7150564

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Structure parameters

Formula	C26 H24 N2 O2
Calculated formula	C26 H24 N2 O2
SMILES	O=C(OC)[C@H]1N([C@@H](C#N)CC1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Direct electrochemical α-cyanation of N-protected cyclic amines
Authors of publication	Libendi, Samuel Shikuku; Demizu, Yosuke; Onomura, Osamu
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2009
Journal volume	7
Journal issue	2
Pages of publication	351 - 356
a	9.0438 ± 0.0004 Å
b	14.174 ± 0.0007 Å
c	19.0124 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2437.1 ± 0.2 Å³
Cell temperature	296.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for all reflections included in the refinement	0.1818
Goodness-of-fit parameter for all reflections included in the refinement	0.975
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
202017 (current)	2017-10-14	cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	7150564.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.	7150564.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150564.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150564.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7150564.cif