Crystallography Open Database

Information card for entry 7159706

Preview

Coordinates	7159706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C1.063 H1.875 N0.125 O0.125
Calculated formula	C1.0625 H1.875 N0.125 O0.125
Title of publication	Bispidine as a promising scaffold for designing molecular machines.
Authors of publication	Singh, Hanuman; Chenna, Akshay; Gangwar, Upanshu; Dutta, Souvik; Kurur, Narayanan D.; Goel, Gaurav; Haridas, V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2023
Journal volume	21
Journal issue	45
Pages of publication	9054 - 9060
a	17.3542 ± 0.0007 Å
b	22.6322 ± 0.0008 Å
c	8.8875 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3490.7 ± 0.2 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0852
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.0518
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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