Crystallography Open Database

Information card for entry 7158141

Preview

Coordinates	7158141.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 N3 O8
Calculated formula	C34 H31 N3 O8
Title of publication	Diastereoselective synthesis of spiro[carbazole-3,5'-pyrimidines] and spiro[carbazole-3,1'-cyclohexanes] <i>via</i> four-component reaction.
Authors of publication	Zhan, Shao-Cong; Fang, Ren-Jie; Sun, Jing; Yan, Chao-Guo
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	28
Pages of publication	6322 - 6327
a	10.8318 ± 0.0006 Å
b	11.4013 ± 0.0007 Å
c	15.4837 ± 0.0008 Å
α	105.432 ± 0.002°
β	103.175 ± 0.002°
γ	103.079 ± 0.002°
Cell volume	1708.8 ± 0.17 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1818
Residual factor for significantly intense reflections	0.0946
Weighted residual factors for significantly intense reflections	0.2299
Weighted residual factors for all reflections included in the refinement	0.2804
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	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268954 (current)	2021-09-06	cif/ Updating files of 7158139, 7158140, 7158141, 7158142, 7158143, 7158144, 7158145, 7158146, 7158147, 7158148 Original log message: Adding full bibliography for 7158139--7158148.cif.	7158141.cif
266671	2021-06-25	cif/ Adding structures of 7158139, 7158140, 7158141, 7158142, 7158143, 7158144, 7158145, 7158146, 7158147, 7158148 via cif-deposit CGI script.	7158141.cif