Crystallography Open Database

Information card for entry 1507110

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Structure parameters

Formula	C15 H26 F2 N O5.5
Calculated formula	C15 H26 F2 N O5.5
Title of publication	Unexpectedly selective formation and reactions of epoxycyclooctenones under microwave-mediated conditions.
Authors of publication	Fawcett, John; Griffith, Gerry A.; Percy, Jonathan M.; Uneyama, Emi
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	8
Pages of publication	1277 - 1280
a	10.6401 ± 0.0015 Å
b	15.19 ± 0.002 Å
c	11.1047 ± 0.0015 Å
α	90°
β	112.679 ± 0.002°
γ	90°
Cell volume	1656 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301775 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure.	1507110.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1507110.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507110.cif
51684	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507110, 1507111, 1507112 via cif-deposit CGI script.	1507110.cif