Crystallography Open Database

Information card for entry 7061088

Preview

Coordinates	7061088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Br N2 O6
Calculated formula	C24 H27 Br N2 O6
Title of publication	A four-component domino reaction for the synthesis of novel bridgehead nitrogen-containing pyrido[1,2-d][1,4]diazepines
Authors of publication	Wang, Rui; Zhang, Wei; Tang, Ying; Qi, Ze-Hui; Yu, Yuan-Hui; Tan, Hong-Bo; Tang, Dian-Yong; Xu, Zhi-Gang; Chen, Zhong-Zhu
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	2
Pages of publication	592 - 598
a	10.1274 ± 0.0013 Å
b	10.9703 ± 0.0014 Å
c	11.701 ± 0.0015 Å
α	105.831 ± 0.002°
β	108.602 ± 0.002°
γ	98.017 ± 0.002°
Cell volume	1148.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
272732 (current)	2022-02-04	cif/ Updating files of 7061088, 7061089, 7061090 Original log message: Adding full bibliography for 7061088--7061090.cif.	7061088.cif
270895	2021-11-27	cif/ Adding structures of 7061088, 7061089, 7061090 via cif-deposit CGI script.	7061088.cif