Crystallography Open Database

Information card for entry 7156738

Preview

Coordinates	7156738.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 Cl2 O4
Calculated formula	C10 H8 Cl2 O4
Title of publication	Total synthesis of spiromastilactone A.
Authors of publication	Chaumont-Olive, Pauline; Maddaluno, Jacques; Harrison-Marchand, Anne
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	15
Pages of publication	3819 - 3824
a	7.1904 ± 0.0015 Å
b	17.064 ± 0.004 Å
c	8.726 ± 0.0019 Å
α	90°
β	100.039 ± 0.004°
γ	90°
Cell volume	1054.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.1066
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225239 (current)	2019-11-08	cif/ Updating files of 7156738, 7156739 Original log message: Adding full bibliography for 7156738--7156739.cif.	7156738.cif
214286	2019-03-22	cif/ Adding structures of 7156738, 7156739 via cif-deposit CGI script.	7156738.cif