Crystallography Open Database

Information card for entry 4031901

4031900 << 4031901 >> 4031902

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Coordinates	4031901.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H20 O5
Calculated formula	C23 H20 O5
SMILES	o1c(cc(c1C)C(=O)OCc1ccccc1)C(=O)C(=C)OCc1ccccc1
Title of publication	Base Induced Chiral Substituted Furans and Imidazoles from Carbohydrate-Derived 2-Haloenones.
Authors of publication	Mal, Kanchan; Das, Indrajit
Journal of publication	The Journal of organic chemistry
Year of publication	2016
Journal volume	81
Journal issue	3
Pages of publication	932 - 945
a	9.0301 ± 0.0011 Å
b	9.6899 ± 0.0011 Å
c	11.5773 ± 0.0014 Å
α	89.237 ± 0.005°
β	88.378 ± 0.006°
γ	70.942 ± 0.004°
Cell volume	957.1 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1106
Weighted residual factors for all reflections included in the refinement	0.1169
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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