Crystallography Open Database

Information card for entry 2206906

2206905 << 2206906 >> 2206907

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Structure parameters

Chemical name	Diethyl 5-bromo-4,7-dimethoxyindan-2,2-dicarboxylate
Formula	C17 H21 Br O6
Calculated formula	C17 H21 Br O6
SMILES	Brc1cc(OC)c2CC(C(=O)OCC)(Cc2c1OC)C(=O)OCC
Title of publication	Diethyl 5-bromo-4,7-dimethoxyindan-2,2-dicarboxylate
Authors of publication	Peter Hammershøj; Jørn B. Christensen
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	10
Pages of publication	o3278 - o3280
a	11.144 ± 0.0008 Å
b	11.163 ± 0.0007 Å
c	15.769 ± 0.0014 Å
α	75.782 ± 0.005°
β	77.534 ± 0.007°
γ	73.395 ± 0.005°
Cell volume	1799.7 ± 0.2 Å³
Cell temperature	122 ± 2 K
Ambient diffraction temperature	122 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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