Crystallography Open Database

Information card for entry 2009070

2009069 << 2009070 >> 2009071

Preview

Coordinates	2009070.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Methyl (SR)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl- 1,9-phenanthroline-6-carboxylate
Formula	C15 H16 Cl2 N2 O3
Calculated formula	C15 H16 Cl2 N2 O3
SMILES	Clc1nc(Cl)cc2C(O)(CC3=C(N(CCC3)C)c12)C(=O)OC
Title of publication	Methyl (<i>SR</i>)-8,10-dichloro-1,2,3,4,5,6-hexahydro-6-hydroxy-1-methyl-1,9-phenanthroline-6-carboxylate
Authors of publication	Sarkar, Tarun Kumar; Basak, Sankar; Ghosh, Sunil Kumar; Nigam, Gur Dayal; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	10
Pages of publication	IUC9900128
a	9.9921 ± 0.0001 Å
b	13.2646 ± 0.0002 Å
c	12.1386 ± 0.0002 Å
α	90°
β	90.47 ± 0.001°
γ	90°
Cell volume	1608.81 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.05
Residual factor for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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