Crystallography Open Database

Information card for entry 7242373

Preview

Coordinates	7242373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H33 N O
Calculated formula	C27 H33 N O
Title of publication	Actuation performance of a photo-bending crystal modeled by machine learning-based regression
Authors of publication	Ishizaki, Kazuki; Sugimoto, Ryota; Hagiwara, Yuki; Koshima, Hideko; Taniguchi, Takuya; Asahi, Toru
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	34
Pages of publication	5839 - 5847
a	6.3282 ± 0.0008 Å
b	9.8266 ± 0.0012 Å
c	39.383 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	2449 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1545
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295951 (current)	2024-11-16	Replaced the '^A\/Y' character sequence with the backslash character ('\') in multiple data values.	7242373.cif
268696	2021-09-06	cif/ Updating files of 7242373 Original log message: Adding full bibliography for 7242373.cif.	7242373.cif
262953	2021-03-10	cif/ Adding structures of 7242373 via cif-deposit CGI script.	7242373.cif