Crystallography Open Database

Information card for entry 2009630

2009629 << 2009630 >> 2009631

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Coordinates	2009630.cif
Original IUCr paper	HTML

Structure parameters

Formula	C15 H12 Br N O4
Calculated formula	C15 H12 Br N O4
Title of publication	An intermediate in the synthesis of formoterol
Authors of publication	Chandra Mohan, K.; Ravikumar, K.; Vittal, T. V. S. K.; Gido, C. K.
Journal of publication	Acta Crystallographica Section C
Year of publication	1994
Journal volume	50
Journal issue	4
Pages of publication	627 - 629
a	7.877 ± 0.001 Å
b	12.6 ± 0.002 Å
c	14.326 ± 0.002 Å
α	90°
β	96.68 ± 0.01°
γ	90°
Cell volume	1412.2 ± 0.3 Å³
Cell temperature	293 K
Number of distinct elements	5
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.038
Goodness-of-fit parameter for significantly intense reflections	1.06
Diffraction radiation wavelength	0.71063 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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