Crystallography Open Database

Information card for entry 1554926

Preview

Coordinates	1554926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H16 N2 O4
Calculated formula	C19 H16 N2 O4
Title of publication	An Efficient Entry to syn- and anti-Selective Isoindolinones via an Organocatalytic Direct Mannich/Lactamization Sequence.
Authors of publication	Bisai, Vishnumaya; Unhale, Rajshekhar A.; Suneja, Arun; Dhanasekaran, Sivasankaran; Singh, Vinod K.
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	9
Pages of publication	2102 - 2105
a	7.5248 ± 0.0006 Å
b	11.7969 ± 0.0011 Å
c	18.7512 ± 0.0017 Å
α	90°
β	98.035 ± 0.002°
γ	90°
Cell volume	1648.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
288505 (current)	2023-12-22	Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name.	1554926.cif
238214	2019-11-24	cif/ Adding structures of 1554926 via cif-deposit CGI script.	1554926.cif