Crystallography Open Database

Information card for entry 2238638

Preview

Coordinates	2238638.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide
Formula	C19 H25 Cl2 N O Si
Calculated formula	C19 H25 Cl2 N O Si
SMILES	c1ccccc1[Si]1(CCCC1)[C@@H]1C=C[C@H]([C@H]1C(=O)NCC)C(Cl)Cl.c1ccccc1[Si]1(CCCC1)[C@H]1C=C[C@@H]([C@@H]1C(=O)NCC)C(Cl)Cl
Title of publication	2-Dichloromethyl-<i>N</i>-ethyl-5-(1-phenylsilolan-1-yl)cyclopent-3-enecarboxamide
Authors of publication	Xiao, Han; Yang, Wan-Qiu; Shen, Liang
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	10
Pages of publication	o1530
a	42.892 ± 0.009 Å
b	13.335 ± 0.003 Å
c	14.234 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	8141 ± 3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0476
Weighted residual factors for significantly intense reflections	0.0953
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238638.cif
89580	2013-11-06	cif/ Adding structures of 2238638 via cif-deposit CGI script.	2238638.cif