Crystallography Open Database

Information card for entry 1574795

Preview

Coordinates	1574795.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H40 F6 N2 O6
Calculated formula	C54 H40 F6 N2 O6
Title of publication	Highly stereoselective synthesis of polysubstituted housanes and spiro-oxa-housanes: application and mechanistic insights.
Authors of publication	Mondal, Abdur Rouf Samim; Bapat, Nakul Abhay; Mishra, Harshita; Hari, Durga Prasad
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	27
Pages of publication	12350 - 12361
a	11.3001 ± 0.0007 Å
b	13.4126 ± 0.0008 Å
c	16.3714 ± 0.0009 Å
α	76.397 ± 0.002°
β	75.85 ± 0.002°
γ	67.123 ± 0.002°
Cell volume	2189.3 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1004
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.1774
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation probe	x-ray
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
301541 (current)	2025-08-06	cif/ Updating files of 1574793, 1574794, 1574795, 1574796, 1574797 Original log message: Adding full bibliography for 1574793--1574797.cif.	1574795.cif
299962	2025-06-05	cif/ Adding structures of 1574793, 1574794, 1574795, 1574796, 1574797 via cif-deposit CGI script.	1574795.cif