Crystallography Open Database

Information card for entry 7156392

Preview

Coordinates	7156392.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H14 O3
Calculated formula	C11 H14 O3
Title of publication	Enantioselective syntheses and application of 4-epi-galiellalactone and the corresponding activity-based probe: from strained bicycles to strained tricycles.
Authors of publication	Lu, Yandong; Zhao, Shan; Zhou, Shijie; Chen, Si-Cong; Luo, Tuoping
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	7
Pages of publication	1886 - 1892
a	6.6421 ± 0.0005 Å
b	9.7101 ± 0.0007 Å
c	15.1008 ± 0.001 Å
α	90°
β	97.188 ± 0.007°
γ	90°
Cell volume	966.28 ± 0.12 Å³
Cell temperature	180 ± 0.1 K
Ambient diffraction temperature	180 ± 0.1 K
Number of distinct elements	3
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	0.0768
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1269
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225211 (current)	2019-11-08	cif/ Updating files of 7156392 Original log message: Adding full bibliography for 7156392.cif.	7156392.cif
210231	2018-08-30	cif/ Adding structures of 7156392 via cif-deposit CGI script.	7156392.cif