Crystallography Open Database

Information card for entry 2012889

2012888 << 2012889 >> 2012890

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Coordinates	2012889.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Diethyl {3-[β-(4-bromophenyl)vinyl]-N-phenylsulfonyl-indol-2-ylmethyl}phosphonate
Formula	C27 H27 Br N O5 P S
Calculated formula	C27 H27 Br N O5 P S
SMILES	Brc1ccc(/C=C/c2c(n(S(=O)(=O)c3ccccc3)c3c2cccc3)CP(=O)(OCC)OCC)cc1
Title of publication	Diethyl {3-[β-(2,4-dichlorophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate and diethyl {3-[β-(4-bromophenyl)vinyl]-<i>N</i>-(phenylsulfonyl)indol-2-ylmethyl}phosphonate
Authors of publication	Sethu Sankar, K.; Kannadasan, S.; Velmurugan, D.; Srinivasan, P. C.; Moon, Jib-Kim
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	8
Pages of publication	o450 - o454
a	16.837 ± 0.001 Å
b	8.323 ± 0.001 Å
c	19.611 ± 0.001 Å
α	90°
β	104.11 ± 0.01°
γ	90°
Cell volume	2665.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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