Crystallography Open Database

Information card for entry 7125638

Preview

Coordinates	7125638.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N O2
Calculated formula	C23 H17 N O2
Title of publication	A competitive and highly selective 7-, 6- and 5-annulation with 1,3-migration through C-H and N-H - alkyne coupling.
Authors of publication	Ajarul, Sk; Kayet, Anirban; Pati, Tanmay K.; Maiti, Dilip K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	3
Pages of publication	474 - 477
a	9.2441 ± 0.0016 Å
b	9.5954 ± 0.0016 Å
c	10.6672 ± 0.0018 Å
α	73.867 ± 0.004°
β	70.65 ± 0.004°
γ	78.883 ± 0.004°
Cell volume	852.3 ± 0.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1318
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
247620 (current)	2020-02-04	cif/ Updating files of 7125638, 7125639 Original log message: Adding full bibliography for 7125638--7125639.cif.	7125638.cif
244818	2019-11-30	cif/ Adding structures of 7125638, 7125639 via cif-deposit CGI script.	7125638.cif