Crystallography Open Database

Information card for entry 7156870

Preview

Coordinates	7156870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H30 N O3 P
Calculated formula	C31 H30 N O3 P
Title of publication	Ene reactions of 2-borylated α-methylstyrenes: a practical route to 4-methylenechromanes and derivatives.
Authors of publication	Boureghda, Chaima; Macé, Aurélie; Berrée, Fabienne; Roisnel, Thierry; Debache, Abdelmadjid; Carboni, Bertrand
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	23
Pages of publication	5789 - 5800
a	9.164 ± 0.0012 Å
b	10.0512 ± 0.0013 Å
c	28.621 ± 0.004 Å
α	90°
β	90.278 ± 0.005°
γ	90°
Cell volume	2636.2 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1164
Residual factor for significantly intense reflections	0.1019
Weighted residual factors for significantly intense reflections	0.2171
Weighted residual factors for all reflections included in the refinement	0.2239
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
225253 (current)	2019-11-08	cif/ Updating files of 7156870 Original log message: Adding full bibliography for 7156870.cif.	7156870.cif
215298	2019-05-18	cif/ Adding structures of 7156870 via cif-deposit CGI script.	7156870.cif