Crystallography Open Database

Information card for entry 1501955

1501954 << 1501955 >> 1501956

Preview

Coordinates	1501955.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N O
Calculated formula	C19 H19 N O
SMILES	O1C2(CC2)C21CN(C2)C(c1ccccc1)c1ccccc1
Title of publication	Synthesis of novel angular spirocyclic azetidines.
Authors of publication	Guérot, Carine; Tchitchanov, Boris H.; Knust, Henner; Carreira, Erick M.
Journal of publication	Organic letters
Year of publication	2011
Journal volume	13
Journal issue	4
Pages of publication	780 - 783
a	8.191 ± 0.0016 Å
b	9.456 ± 0.0019 Å
c	10.496 ± 0.002 Å
α	95.84 ± 0.03°
β	99.81 ± 0.03°
γ	110.54 ± 0.03°
Cell volume	738.6 ± 0.3 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 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 all reflections	0.0576
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1464
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.7 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1501955.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1501955.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501955.cif
35293	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 1501955 via cif-deposit CGI script.	1501955.cif