Crystallography Open Database

Information card for entry 7156269

Preview

Coordinates	7156269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 N2 O4 P
Calculated formula	C27 H39 N2 O4 P
Title of publication	Base-mediated 1,6-conjugate addition of the Seyferth-Gilbert reagent to para-quinone methides.
Authors of publication	Gupta, Ashis Kumar; Ahamad, Shakir; Vaishanv, Narendra Kumar; Kant, Ruchir; Mohanan, Kishor
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	25
Pages of publication	4623 - 4627
a	9.947 ± 0.003 Å
b	15.743 ± 0.004 Å
c	18.185 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2847.7 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0719
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.1194
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
230757 (current)	2019-11-17	cif/ Updating files of 7156268, 7156269 Original log message: Adding full bibliography for 7156268--7156269.cif.	7156269.cif
211179	2018-09-26	cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces.	7156269.cif
208045	2018-05-30	cif/ Adding structures of 7156268, 7156269 via cif-deposit CGI script.	7156269.cif