Crystallography Open Database

Information card for entry 7251411

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Coordinates	7251411.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O4
Calculated formula	C21 H20 O4
Title of publication	Dual-Responsive Benzylidene Indanone Crystals: Mechanical Flexibility Coupled with Reversible Acidochromism
Authors of publication	Ahamed , Riyaaz; Bhowmik, Aritra; Mishra, Manish Kumar; Ghosh, Soumyajit
Journal of publication	CrystEngComm
Year of publication	2026
a	4.6803 ± 0.0009 Å
b	40.269 ± 0.007 Å
c	9.2487 ± 0.0017 Å
α	90°
β	96.433 ± 0.005°
γ	90°
Cell volume	1732.1 ± 0.6 Å³
Cell temperature	299 K
Ambient diffraction temperature	299 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1364
Residual factor for significantly intense reflections	0.0962
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2463
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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