Crystallography Open Database

Information card for entry 2102215

Preview

Coordinates	2102215.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H9 N3 O3
Calculated formula	C6 H9 N3 O3
SMILES	COc1nc(OC)nc(n1)OC
Title of publication	Different packing in three polymorphs of 2,4,6-trimethoxy-1,3,5-triazine
Authors of publication	Fridman, Natalya; Kapon, Moshe; Sheynin, Yana; Kaftory, Menahem
Journal of publication	Acta Crystallographica Section B
Year of publication	2004
Journal volume	60
Journal issue	1
Pages of publication	97 - 102
a	14.027 ± 0.001 Å
b	14.027 ± 0.001 Å
c	7.088 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1207.8 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	161
Hermann-Mauguin space group symbol	R 3 c :H
Hall space group symbol	R 3 -2"c
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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