Crystallography Open Database

Information card for entry 4025856

Preview

Coordinates	4025856.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H9 I O4
Calculated formula	C14 H9 I O4
Title of publication	Synthesis of Hexacyclic Parnafungin A and C Models
Authors of publication	Quan Zhou; Barry B. Snider
Journal of publication	Journal of Organic Chemistry
Year of publication	2010
Journal volume	75
Pages of publication	8224 - 8233
a	7.7699 ± 0.0004 Å
b	4.7912 ± 0.0003 Å
c	32.413 ± 0.0018 Å
α	90°
β	96.533 ± 0.003°
γ	90°
Cell volume	1198.81 ± 0.12 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0677
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for all reflections	0.1234
Weighted residual factors for significantly intense reflections	0.121
Weighted residual factors for all reflections included in the refinement	0.1234
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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