Crystallography Open Database

Information card for entry 7155268

Preview

Coordinates	7155268.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H18 N2 O5.5
Calculated formula	C19.5 H17.5 N2 O5.5
Title of publication	A core switching strategy to pyrrolo[2,3-b]quinolines and diazocino[1,2-a]indolinones.
Authors of publication	Jones, Alan M.; Patterson, Stephen; Lorion, Magali M.; Slawin, Alexandra M. Z.; Westwood, Nicholas J.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2016
Journal volume	14
Journal issue	38
Pages of publication	8998 - 9011
a	7.7594 ± 0.0012 Å
b	19.459 ± 0.003 Å
c	11.8044 ± 0.0019 Å
α	90°
β	106.142 ± 0.002°
γ	90°
Cell volume	1712.1 ± 0.5 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	4
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	0.0552
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
211412 (current)	2018-10-12	cif/ Removing the _chemical_name_systematic data item from entries 2006073, 2007116, 4125276, 4125277, 4125278, 7119343, 7155268, 7231624 since it contained placeholder values.	7155268.cif
187177	2016-10-08	cif/ Updating files of 7155268, 7155269 Original log message: Adding full bibliography for 7155268--7155269.cif.	7155268.cif
186115	2016-09-01	cif/ Adding structures of 7155268, 7155269 via cif-deposit CGI script.	7155268.cif