Crystallography Open Database

Information card for entry 7159627

Preview

Coordinates	7159627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O
Calculated formula	C16 H17 N O
Title of publication	Synthesis of the indeno[1,2-<i>b</i>]indole core of janthitrem B.
Authors of publication	Fresia, Marvin; Dierks, Alexandra; Jones, Peter G.; Lindel, Thomas
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	45
Pages of publication	9065 - 9069
a	6.14568 ± 0.0001 Å
b	12.1476 ± 0.0002 Å
c	16.5252 ± 0.0003 Å
α	90°
β	90.6799 ± 0.0016°
γ	90°
Cell volume	1233.61 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.97 ± 0.18 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0422
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation probe	x-ray
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
288900 (current)	2024-01-06	cif/ Updating files of 7159627, 7159628 Original log message: Adding full bibliography for 7159627--7159628.cif.	7159627.cif
287273	2023-11-05	cif/ Adding structures of 7159627, 7159628 via cif-deposit CGI script.	7159627.cif